化学生物学
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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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4-[2-[1-(3-氮杂环丁烷基)-1h-吡唑-5-基] -4-(三氟甲基)苯氧基] -5-氯-2-氟-n-1,3,4-噻二唑-2丁基苯磺酰胺CAS号 : 1354818-96-4 Compound CID : 56599150分子式: C21H15ClF4N6O3S2 分子量: 574.95IUPAC Name: 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-5-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamideSMILES: C1C(CN1)N2C(=CC=N2)C3=C(C=CC(=C3)C(F)(F)F)OC4=CC(=C(C=C4Cl)S(=O)(=O)NC5=NN=CS5)FInChIKey: XGPDJOZWOGPDLD-UHFFFAOYSA-NInChI: InChI=1S/C21H15ClF4N6O3S2/c22-14-6-19(37(33,34)31-20-30-28-10-36-20)15(23)7-18(14)35-17-2-1-11(21(24,25)26)5-13(17)16-3-4-29-32(16)12-8-27-9-12/h1-7,10,12,27H,8-9H2,(H,30,31)
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拉贝洛尔CAS号 : 36894-69-6 Compound CID : 3869分子式: C19H24N2O3 分子量: 328.41IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamideSMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)OInChIKey: SGUAFYQXFOLMHL-UHFFFAOYSA-NInChI: InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
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2-甲基-4-哌嗪基喹啉CAS号 : 82241-22-3 Compound CID : 702318分子式: C14H17N3 分子量: 227.3IUPAC Name: 2-methyl-4-piperazin-1-ylquinolineSMILES: CC1=NC2=CC=CC=C2C(=C1)N3CCNCC3InChIKey: XYBLCORUTWKJOI-UHFFFAOYSA-NInChI: InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)12-4-2-3-5-13(12)16-11/h2-5,10,15H,6-9H2,1H3
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依拉嗪,EleclazineCAS号 : 1443211-72-0 Compound CID : 71183216分子式: C21H16F3N3O3 分子量: 415.372IUPAC Name: 4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-oneSMILES: C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)N1CC4=NC=CC=N4InChIKey: YNUAEEJQYHYLMS-UHFFFAOYSA-NInChI: InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2