小分子和化合物库
选项
-
MMG 11,TLR2拮抗剂CAS号: 313254-94-3分子式: C15H14O7 分子量: 306.27IUPAC Name: ethyl 5-[2-oxo-2-(2,3,4-trihydroxyphenyl)ethyl]furan-2-carboxylateSMILES: CCOC(=O)C1=CC=C(O1)CC(=O)C2=C(C(=C(C=C2)O)O)OInChIKey: IIDUJWIVMGALOG-UHFFFAOYSA-NInChI: 1S/C15H14O7/c1-2-21-15(20)12-6-3-8(22-12)7-11(17)9-4-5-10(16)14(19)13(9)18/h3-6,16,18-19H,2,7H2,1H3
-
Loxiglumide,CCK1拮抗剂CAS号: 107097-80-3分子式: C21H30Cl2N2O5 分子量: 461.38IUPAC Name: 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acidSMILES: CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)ClInChIKey: QNQZBKQEIFTHFZ-UHFFFAOYSA-NInChI: 1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)
-
LE 135,RARβ拮抗剂CAS号: 155877-83-1分子式: C29H30N2O2 分子量: 438.56IUPAC Name: 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acidSMILES: CC1(CCC(C2=CC3=C(C=C21)N=C(C4=CC=CC=C4N3C)C5=CC=C(C=C5)C(=O)O)(C)C)CInChIKey: YZZAIQOVMHVWBS-UHFFFAOYSA-NInChI: 1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
-
KF 38789,P-选择素介导的细胞粘附的抑制剂CAS号: 257292-29-8分子式: C19H21NO5S 分子量: 375.44IUPAC Name: 3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methylpyran-2-oneSMILES: CC1=CC(=C(C(=O)O1)C2=NCCSC(C2)C3=C(C=C(C=C3)OC)OC)OInChIKey: NHFIAAAMCYVRIW-UHFFFAOYSA-NInChI: 1S/C19H21NO5S/c1-11-8-15(21)18(19(22)25-11)14-10-17(26-7-6-20-14)13-5-4-12(23-2)9-16(13)24-3/h4-5,8-9,17,21H,6-7,10H2,1-3H3
-
JNJ 28871063 hydrochlorideCAS号: 944342-90-9 Compound CID : 17747413分子式: C24H27ClN6O3•HCl 分子量: 519.42IUPAC Name: 4-N-(3-chloro-4-phenylmethoxyphenyl)-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidine-4,6-diamine;hydrochlorideSMILES: C1COCCN1CCON=CC2=C(N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)N.ClInChIKey: ZXKZRKQMKNRZNN-GZPZNDDGSA-NInChI: 1S/C24H27ClN6O3.ClH/c25-21-14-19(6-7-22(21)33-16-18-4-2-1-3-5-18)30-24-20(23(26)27-17-28-24)15-29-34-13-10-31-8-11-32-12-9-31;/h1-7,14-15,17H,8-13,16H2,(H3,26,27,28,30);1H/b29-15+;
-
GW 583340 二盐酸盐CAS号: 1173023-85-2 Compound CID : 16219404分子式: C28H25ClFN5O3S2•2HCl 分子量: 671.03IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine;dihydrochlorideSMILES: CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.Cl.ClInChIKey: WIMITXDBYLKRKB-UHFFFAOYSA-NInChI: See more
-
ue1654,OXE-RGβ/γ信号传导抑制剂CAS号: 397290-30-1分子式: C23H17N3OS3 分子量: 447.6IUPAC Name: N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2,2-diphenylacetamideSMILES: CSC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5InChIKey: UFOBDFMYJABXGK-UHFFFAOYSA-NInChI: 1S/C23H17N3OS3/c1-28-23-25-17-13-12-16-19(20(17)30-23)29-22(24-16)26-21(27)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3,(H,24,26,27)
-
GSK 591 二盐酸盐CAS号: 2320953-89-5 Compound CID : 124201849分子式: C22H28N4O2.2HCl 分子量: 453.41IUPAC Name: 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;dihydrochlorideSMILES: C1CC(C1)NC2=NC=CC(=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)O.Cl.ClInChIKey: CDKUMVXFXBTOBE-FJSYBICCSA-NInChI: 1S/C22H28N4O2.2ClH/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19;;/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28);2*1H/t20-;;/m0../s1
-
GSK 2250665A,Itk抑制剂CAS号: 1246030-96-5分子式: C26H29N5OS 分子量: 459.61IUPAC Name: 4-[[4-benzyl-6-[(6-ethyl-1,3-benzothiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-olSMILES: CCC1=CC2=C(C=C1)N=C(S2)NC3=NC(=NC(=C3)CC4=CC=CC=C4)NC5CCC(CC5)OInChIKey: DPRNXTSMYVCYLJ-UHFFFAOYSA-NInChI: 1S/C26H29N5OS/c1-2-17-8-13-22-23(15-17)33-26(29-22)31-24-16-20(14-18-6-4-3-5-7-18)28-25(30-24)27-19-9-11-21(32)12-10-19/h3-8,13,15-16,19,21,32H,2,9-12,14H2,1H3,(H2,27,28,29,30,31)
-
GSK 650394,血清和糖皮质激素调节激酶(SGK)抑制剂CAS号: 890842-28-1分子式: C25H22N2O2 分子量: 382.45IUPAC Name: 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acidSMILES: C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)OInChIKey: WVSBGSNVCDAMCF-UHFFFAOYSA-NInChI: 1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)
-
GLPG 0187,有效的αv整联蛋白抑制剂CAS号: 1320346-97-1分子式: C29H37N7O5S 分子量: 595.71IUPAC Name: (2S)-3-[[2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-[(4-methoxyphenyl)sulfonylamino]propanoic acidSMILES: CC1=C(N=C(N=C1N2CCC(CC2)C3=NC4=C(CCCN4)C=C3)C)NCC(C(=O)O)NS(=O)(=O)C5=CC=C(C=C5)OCInChIKey: CXHCNOMGODVIKB-VWLOTQADSA-NInChI: See more
-
Fluorobexarotene,RXR激动剂CAS号: 1190848-23-7分子式: C24H27FO2 分子量: 366.47IUPAC Name: 2-fluoro-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acidSMILES: CC1=CC2=C(C=C1C(=C)C3=CC(=C(C=C3)C(=O)O)F)C(CCC2(C)C)(C)CInChIKey: LWKAWHRSPCHMPJ-UHFFFAOYSA-NInChI: 1S/C24H27FO2/c1-14-11-19-20(24(5,6)10-9-23(19,3)4)13-18(14)15(2)16-7-8-17(22(26)27)21(25)12-16/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,26,27)
首页
400-620-6333











