小分子和化合物库
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ST 91,α2激动剂分子式: C13H19N3.HCl 分子量: 253.77IUPAC Name: N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochlorideSMILES: CCC1=C(C(=CC=C1)CC)NC2=NCCN2.ClInChIKey: ZLRWFGBEDNTMEU-UHFFFAOYSA-NInChI: 1S/C13H19N3.ClH/c1-3-10-6-5-7-11(4-2)12(10)16-13-14-8-9-15-13;/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,16);1H
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SP 100030CAS号: 154563-54-9 Compound CID : 9910975分子式: C14H5ClF9N3O 分子量: 437.65IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamideSMILES: C1=C(C=C(C=C1C(F)(F)F)NC(=O)C2=CN=C(N=C2C(F)(F)F)Cl)C(F)(F)FInChIKey: GHMKQBWHPQMXSH-UHFFFAOYSA-NInChI: 1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)
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SNC 162,非肽δ激动剂CAS号: 178803-51-5 Compound CID : 6604878分子式: C27H37N3O 分子量: 419.61IUPAC Name: 4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamideSMILES: CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CC(N(CC3C)CC=C)CInChIKey: WGIDFDFAOQVAHY-UFPGJGBJSA-NInChI: 1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26+/m1/s1
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SMANT hydrochloride,抑制平滑(Smo)积累CAS号: 1177600-74-6 Compound CID : 2900213分子式: C16H24BrClN2O 分子量: 375.73IUPAC Name: N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochlorideSMILES: CC1CC(CN(C1)CCC(=O)NC2=CC=C(C=C2)Br)C.ClInChIKey: XQESCHFXROUCOQ-UHFFFAOYSA-NInChI: 1S/C16H23BrN2O.ClH/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-5-3-14(17)4-6-15;/h3-6,12-13H,7-11H2,1-2H3,(H,18,20);1H
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SKF 77434 氢溴酸盐CAS号: 300561-58-4 Compound CID : 11957703分子式: C19H21NO2•HBr 分子量: 376.29IUPAC Name: 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromideSMILES: C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O.BrInChIKey: JWQRAXTWDYUBFI-UHFFFAOYSA-NInChI: 1S/C19H21NO2.BrH/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14;/h2-7,11-12,17,21-22H,1,8-10,13H2;1H
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Sipatrigine,NaV通道阻断剂CAS号: 130800-90-7 Compound CID : 60803分子式: C15H16Cl3N5 分子量: 372.68IUPAC Name: 2-(4-methylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amineSMILES: CN1CCN(CC1)C2=NC=C(C(=N2)N)C3=C(C(=CC(=C3)Cl)Cl)ClInChIKey: PDOCBJADCWMDGL-UHFFFAOYSA-NInChI: 1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)
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SDZ 205-557 盐酸盐CAS号: 1197334-02-3 Compound CID : 11957705分子式: C14H21ClN2O3.HCl 分子量: 337.25IUPAC Name: 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate;hydrochlorideSMILES: CCN(CC)CCOC(=O)C1=CC(=C(C=C1OC)N)Cl.ClInChIKey: JOWUQCJWCRNVMQ-UHFFFAOYSA-NInChI: 1S/C14H21ClN2O3.ClH/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3;/h8-9H,4-7,16H2,1-3H3;1H
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SD 1008,JAK2 / STAT3信号通路抑制剂CAS号: 960201-81-4 Compound CID : 90488797分子式: C18H19NO5 分子量: 329.35IUPAC Name: dimethyl (1R,5R,6R,7S)-8-benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylateSMILES: COC(=O)C1C2C=CC(=O)C(C1C(=O)OC)N2CC3=CC=CC=C3InChIKey: PYZQFEIRZQYUJQ-MIGQKNRLSA-NInChI: 1S/C18H19NO5/c1-23-17(21)14-12-8-9-13(20)16(15(14)18(22)24-2)19(12)10-11-6-4-3-5-7-11/h3-9,12,14-16H,10H2,1-2H3/t12-,14-,15-,16+/m1/s1
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SB 399885 盐酸盐CAS号: 402713-81-9 Compound CID : 10277652分子式: C18H21Cl2N3O4S•HCl 分子量: 482.81IUPAC Name: N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide;hydrochlorideSMILES: COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)Cl)Cl)OC)N3CCNCC3.ClInChIKey: RNKCEBCFUSXSQE-UHFFFAOYSA-NInChI: 1S/C18H21Cl2N3O4S.ClH/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2;/h3-4,9-11,21-22H,5-8H2,1-2H3;1H
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SB 258719 盐酸盐CAS号: 1217674-10-6 Compound CID : 56972181分子式: C₁₈H₃₀N₂O₂S.HCl 分子量: 374.97IUPAC Name: N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide;hydrochlorideSMILES: CC1CCN(CC1)CCC(C)N(C)S(=O)(=O)C2=CC=CC(=C2)C.ClInChIKey: UIZKHTBWJSUGOV-UNTBIKODSA-NInChI: 1S/C18H30N2O2S.ClH/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18;/h5-7,14-15,17H,8-13H2,1-4H3;1H/t17-;/m1./s1
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SB 206553盐酸盐CAS号: 1197334-04-5 Compound CID : 11957707分子式: C17H16N4O.HCl 分子量: 328.80IUPAC Name: 1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;hydrochlorideSMILES: CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21.ClInChIKey: VGEMBOFBPSNOIO-UHFFFAOYSA-NInChI: 1S/C17H16N4O.ClH/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14;/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22);1H
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SB 203186 盐酸盐CAS号: 207572-69-8 Compound CID : 9926639分子式: C16H20N2O2•HCl 分子量: 308.81IUPAC Name: 2-piperidin-1-ylethyl 1H-indole-3-carboxylate;hydrochlorideSMILES: C1CCN(CC1)CCOC(=O)C2=CNC3=CC=CC=C32.ClInChIKey: LYMBEMCUJNDSBZ-UHFFFAOYSA-NInChI: 1S/C16H20N2O2.ClH/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15;/h2-3,6-7,12,17H,1,4-5,8-11H2;1H
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