小分子和化合物库
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4-羟基三苯氧胺CAS号: 68392-35-8分子式: C26H29NO2 分子量: 387.51IUPAC Name: 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenolSMILES: CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3InChIKey: TXUZVZSFRXZGTL-QPLCGJKRSA-NInChI: 1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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Apcin-ACAS号: 1683617-62-0分子式: C10H14Cl3N5O2 分子量: 342.61IUPAC Name: 3-aminopropyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamateSMILES: C1=CN=C(N=C1)NC(C(Cl)(Cl)Cl)NC(=O)OCCCNInChIKey: JQTSJVDIFMKETH-UHFFFAOYSA-NInChI: 1S/C10H14Cl3N5O2/c11-10(12,13)7(17-8-15-4-2-5-16-8)18-9(19)20-6-1-3-14/h2,4-5,7H,1,3,6,14H2,(H,18,19)(H,15,16,17)
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LC-2CAS号: 2502156-03-6 Compound CID : 154727765分子式: C59H71ClFN11O7S 分子量: 1132.78IUPAC Name: See moreSMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCOCCCN4CCCC4COC5=NC6=C(CCN(C6)C7=CC=CC8=C7C(=CC=C8)Cl)C(=N5)N9CCN(C(C9)CC#N)C(=O)C(=C)F)OInChIKey: ZCGQZLKPUVGCBQ-HLMPTVQRSA-NInChI: See more
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A1874CAS号: 2064292-12-0分子式: C58H62Cl3F2N9O7S 分子量: 1173.59IUPAC Name: See moreSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCCNC(=O)C4=CC(=C(C=C4)NC(=O)C5C(C(C(N5)CC(C)(C)C)(C#N)C6=C(C=C(C=C6)Cl)F)C7=C(C(=CC=C7)Cl)F)OC)C8=CC=C(C=C8)Cl)CInChIKey: IPNTVOAQOGRLQB-JJMBTQCASA-NInChI: See more
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PROTAC SGK3降解剂-1CAS号: 2381320-35-8 Compound CID : 139035049分子式: C57H73FN10O11S2 分子量: 1157.38IUPAC Name: See moreSMILES: CC1=CC(=C(C=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(C=NN4)C(=N3)OCC5CN(CCO5)CCCCCCOCCOCCOCC(=O)NC(C(=O)N6CC(CC6C(=O)NCC7=CC=C(C=C7)C8=C(N=CS8)C)O)C(C)(C)CInChIKey: RTFQFPZKDYMMMJ-RIAKQDHQSA-NInChI: See more
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PROTAC BRD9 Degrader-1CAS号: 2097971-01-0 Compound CID : 137628637分子式: C42H45N7O12S2 分子量: 903.98IUPAC Name: N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-2-[4-[2-[N'-(1,1-dioxothian-4-yl)carbamimidoyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-methoxyphenoxy]acetamideSMILES: CN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=C(C=C4)OCC(=O)NCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)OCInChIKey: LOLHUPGCPDURJG-UHFFFAOYSA-NInChI: See more
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PROTAC K-Ras Degrader-1CAS号: 2378258-52-5 Compound CID : 139579413分子式: C53H62N10O10 分子量: 999.12IUPAC Name: See moreSMILES: CN1CC(CC1COC2=NC3=C(CCN(C3)C4=CC=CC5=CC=CC=C54)C(=N2)N6CCN(C(C6)CC#N)C(=O)C=C)OCCOCCOCCOCCNC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=OInChIKey: KGFCORDWMRCVAC-VYIZRSQBSA-NInChI: See more
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JH-XI-10-02CAS号: 2209085-22-1 Compound CID : 133081965分子式: C53H69N5O9 分子量: 920.14IUPAC Name: See moreSMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4C5=CC6=C(C=C5)C=CN=C6)C)N(C)C(=O)CCOCCOCCOCCOCCNC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=OInChIKey: JECHBTRAPARMGI-KMIZWFMDSA-NInChI: See more
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SLFCAS号: 195513-96-3 Compound CID : 35027274分子式: C30H40N2O6 分子量: 524.65IUPAC Name: [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylateSMILES: CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)NInChIKey: IIDSDBBDZNDWCN-BJKOFHAPSA-NInChI: 1S/C30H40N2O6/c1-6-30(2,3)27(33)28(34)32-17-8-7-12-23(32)29(35)38-24(21-10-9-11-22(31)19-21)15-13-20-14-16-25(36-4)26(18-20)37-5/h9-11,14,16,18-19,23-24H,6-8,12-13,15,17,31H2,1-5H3/t23-,24+/m0/s1
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