小分子和化合物库
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TPPB,PKC激活剂CAS号 : 497259-23-1 Compound CID : 9935767分子式: C27H30F3N3O3 分子量: 501.54IUPAC Name: (2E,4E)-N-[(2S,5S)-5-(hydroxymethyl)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamideSMILES: CC(C)C1C(=O)NC(CC2=C(N1C)C=CC(=C2)NC(=O)C=CC=CC3=CC=C(C=C3)C(F)(F)F)COInChIKey: WOLVEMPZUIFSII-IHHOKICGSA-NInChI: InChI=1S/C27H30F3N3O3/c1-17(2)25-26(36)32-22(16-34)15-19-14-21(12-13-23(19)33(25)3)31-24(35)7-5-4-6-18-8-10-20(11-9-18)27(28,29)30/h4-14,17,22,25,34H,15-16H2,1-3H3,(H,31,35)(H,32,36)/b6-4+,7-5+/t22-,25-/m0/s1
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Bryostatin 1,蛋白激酶C激活剂CAS号 : 83314-01-6 Compound CID : 5280757分子式: C47H68O17 分子量: 905.03IUPAC Name: [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoateSMILES: CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)OInChIKey: MJQUEDHRCUIRLF-TVIXENOKSA-NInChI: InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
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佛波醇 12,13-二丁酸酯CAS号 : 37558-16-0 Compound CID : 37783分子式: C28H40O8 分子量: 504.61IUPAC Name: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-butanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] butanoateSMILES: CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)CInChIKey: BQJRUJTZSGYBEZ-YVQNUNKESA-NInChI: InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1
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Darovasertib (LXS-196)CAS号 : 1874276-76-2(DMSO)分子式: C22H23F3N8O 分子量: 472.47SMILES: CC1(N)CCN(CC1)C2=CC=CN=C2NC(=O)C3=NC(=CN=C3N)C4=NC=CC=C4C(F)(F)F
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Enzastaurin (LY317615)CAS号 : 170364-57-5(DMSO)分子式: C32H29N5O2 分子量: 515.61SMILES: C[N]1C=C(C2=CC=CC=C12)C3=C(C(=O)NC3=O)C4=C[N](C5CCN(CC5)CC6=NC=CC=C6)C7=CC=CC=C47
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Go 6983CAS号 : 133053-19-7(DMSO)分子式: C26H26N4O3 分子量: 442.51SMILES: COC1=CC=C2[N](CCCN(C)C)C=C(C2=C1)C3=C(C(=O)NC3=O)C4=C[NH]C5=C4C=CC=C5
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AlprostadilCAS号 : 745-65-3(DMSO)分子式: C20H34O5 分子量: 354.48SMILES: CCCCCC(O)/C=C/C1C(O)CC(=O)C1CCCCCCC(O)=O
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Sotrastaurin (AEB071)CAS号 : 425637-18-9(DMSO)分子式: C25H22N6O2 分子量: 438.48SMILES: CN1CCN(CC1)C2=NC(=C3C=CC=CC3=N2)C4=C(C(=O)NC4=O)C5=C[NH]C6=C5C=CC=C6
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Go 6976CAS号 : 136194-77-9 Compound CID : 3501分子式: C24H18N4O 分子量: 378.43IUPAC Name: 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrileSMILES: CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=OInChIKey: VWVYILCFSYNJHF-UHFFFAOYSA-NInChI: InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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7-Octylindolactam VCAS号 : 109346-66-9 Compound CID : 159320分子式: C25H39N3O2 分子量: 413.6IUPAC Name: (10S,13S)-13-(hydroxymethyl)-9-methyl-5-octyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-oneSMILES: CCCCCCCCC1=C2C3=C(C=C1)N(C(C(=O)NC(CC3=CN2)CO)C(C)C)CInChIKey: SUQYTYOVPXAUGB-RDPSFJRHSA-NInChI: InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1
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