小分子和化合物库
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Avacopan (CCX168)CAS号 : 1346623-17-3 Compound CID : 49841217分子式: C33H35F4N3O2 分子量: 581.64IUPAC Name: (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamideSMILES: CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)FInChIKey: PUKBOVABABRILL-YZNIXAGQSA-NInChI: InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1
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PMX 53CAS号 : 219639-75-5 Compound CID : 6918468分子式: C47H65N11O7 分子量: 896.1IUPAC Name: (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamideSMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)NInChIKey: YOKBGCTZYPOSQM-HPSWDUTRSA-NInChI: InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1
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N-[(4-dimethylaminophenyl)methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamideCAS号 : 405097-49-6 Compound CID : 5311122分子式: C30H36N2O2 分子量: 456.6IUPAC Name: N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamideSMILES: CC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)N(C)C)C(=O)C3CCCC4=C3C=C(C=C4)OCInChIKey: DVYASSBBADJRAS-UHFFFAOYSA-NInChI: InChI=1S/C30H36N2O2/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28/h9-19,21,28H,6-8,20H2,1-5H3
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n,n'-1,2-Phenylenebis(n,4-dimethylbenzenesulfonamide)CAS号 : 29627-62-1 Compound CID : 265219分子式: C22H24N2O4S2 分子量: 444.6IUPAC Name: N,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamideSMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)CInChIKey: WOBGBOUAUABUFZ-UHFFFAOYSA-NInChI: InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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W 54011,C5a受体拮抗剂CAS号 : 405098-33-1 Compound CID : 5311121分子式: C30H37ClN2O2 分子量: 493.08IUPAC Name: N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochlorideSMILES: CC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)N(C)C)C(=O)C3CCCC4=C3C=C(C=C4)OC.ClInChIKey: UKBJWRMNGCDKNL-UHFFFAOYSA-NInChI: InChI=1S/C30H36N2O2.ClH/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28;/h9-19,21,28H,6-8,20H2,1-5H3;1H
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NDT 9513727,人类C5a受体阴性变构调节剂(NAM)CAS号 : 439571-48-9 Compound CID : 10210160分子式: C36H35N3O4 分子量: 573.68IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]methanamineSMILES: CCCCN1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN(CC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCO7InChIKey: ITACCRHKSPSKKL-UHFFFAOYSA-NInChI: InChI=1S/C36H35N3O4/c1-2-3-18-39-30(35(28-10-6-4-7-11-28)37-36(39)29-12-8-5-9-13-29)23-38(21-26-14-16-31-33(19-26)42-24-40-31)22-27-15-17-32-34(20-27)43-25-41-32/h4-17,19-20H,2-3,18,21-25H2,1H3
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Pembrolizumab (anti-PD-1)关联靶标: PDCD1
- 简短描述: Purity>95% (SDS-PAGE&SEC); Endotoxin Level<1.0EU/mg; Human IgG4SP; CHO; ELISA, FACS, Functional assay, Animal Model; Unconjugated
- 种属反应性: 人(Human), 食蟹猴(Cynomolgus monkey)
- 亚型: Human IgG4SP
- 宿主种属: 人(Human)
- 偶联: Unconjugated
CAS号 : 1374853-91-4 Compound CID : 168009853IUPAC Name: 1-butyl-4-propylpiperazine;ethane;1-[hex-5-enyl(2-methyltetradecyl)amino]tetradecan-2-ol;3-[2-methylhexadeca-8,10-dienyl(2-methylhexadeca-9,11-dienyl)amino]propane-1-thiolSMILES: CC.CCCCCCCCCCCCC(C)CN(CCCCC=C)CC(CCCCCCCCCCCC)O.CCCCCC=CC=CCCCCCC(C)CN(CCCS)CC(C)CCCCCCC=CC=CCCCC.CCCCN1CCN(CC1)CCCInChIKey: AMOIBCKFWIUEKF-UHFFFAOYSA-NInChI: InChI=1S/C37H69NS.C35H71NO.C11H24N2.C2H6/c1-5-7-9-11-13-15-17-19-21-23-25-27-30-36(3)34-38(32-29-33-39)35-37(4)31-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-8-11-14-16-18-20-22-24-26-29-34(4)32-36(31-28-13-10-7-3)33-35(37)30-27-25-23-21-19-17-15-12-9-6-2;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-2/h11,13-18,20,36-37,39H,5-10,12,19,21-35H2,1-4H3;7,34-35,37H,3,5-6,8-33H2,1-2,4H3;3-11H2,1-2H3;1-2H3 -
Nivolumab (anti-PD-1)关联靶标: PDCD1
- 简短描述: Purity≥95% (SDS-PAGE&SEC-HPLC); Endotoxin Level<1.0 EU/mg; Human IgG4SP; CHO; ELISA, Flow Cytometry, Functional assay, Animal Model; Unconjugated
- 种属反应性: 人(Human), 食蟹猴(Cynomolgus monkey)
- 亚型: Human IgG4SP
- 宿主种属: 人(Human)
- 偶联: Unconjugated
CAS号 : 946414-94-4 Compound CID : 168009888IUPAC Name: 3-methyl-5-methylsulfonyl-1-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-yl)pent-4-en-1-one;3-methyl-5-methylsulfonyl-1-(2,2,4-trimethyl-1H-quinolin-8-yl)pent-4-en-1-one;5-methylsulfonyl-1-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-yl)pent-4-en-1-one;5-methylsulfonyl-1-(2,2,4-trimethyl-1H-quinolin-8-yl)pent-4-en-1-oneSMILES: CC1CC(NC2=C1C=CC=C2C(=O)CCC=CS(=O)(=O)C)(C)C.CC1CC(NC2=C1C=CC=C2C(=O)CC(C)C=CS(=O)(=O)C)(C)C.CC1=CC(NC2=C1C=CC=C2C(=O)CCC=CS(=O)(=O)C)(C)C.CC1=CC(NC2=C1C=CC=C2C(=O)CC(C)C=CS(=O)(=O)C)(C)CInChIKey: VSTHRBNUEGPUOM-UHFFFAOYSA-NInChI: InChI=1S/C19H27NO3S.C19H25NO3S.C18H25NO3S.C18H23NO3S/c2*1-13(9-10-24(5,22)23)11-17(21)16-8-6-7-15-14(2)12-19(3,4)20-18(15)16;2*1-13-12-18(2,3)19-17-14(13)8-7-9-15(17)16(20)10-5-6-11-23(4,21)22/h6-10,13-14,20H,11-12H2,1-5H3;6-10,12-13,20H,11H2,1-5H3;6-9,11,13,19H,5,10,12H2,1-4H3;6-9,11-12,19H,5,10H2,1-4H3 -
Cemiplimab (anti-PD-1)关联靶标: PDCD1
- 简短描述: Purity>95% (SDS-PAGE&SEC); Endotoxin Level<1.0EU/mg; Human IgG4; CHO; ELISA, FACS, Functional assay, Animal Model; Unconjugated
- 种属反应性: 人(Human)
- 亚型: Human IgG4
- 宿主种属: 人(Human)
- 偶联: Unconjugated
CAS号 : 1801342-60-8
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