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GMP生物活性小分子
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SertralineCAS号: 79617-96-2 Compound CID : 68617分子式: C17H17Cl2N 分子量: 306.24IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amineSMILES: CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)ClInChIKey: VGKDLMBJGBXTGI-SJCJKPOMSA-NInChI: 1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
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CHIR 99021CAS号: 252917-06-9分子式: C22H18Cl2N8 分子量: 465.34IUPAC Name: 6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrileSMILES: CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#NInChIKey: AQGNHMOJWBZFQQ-UHFFFAOYSA-NInChI: 1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)
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LDN 193189CAS号: 1435934-00-1 Compound CID : 91900717分子式: C25H24Cl2N6 分子量: 479.4IUPAC Name: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;dihydrochlorideSMILES: C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3.Cl.ClInChIKey: CMQXLLAILGGLRV-UHFFFAOYSA-NInChI: 1S/C25H22N6.2ClH/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;;/h1-10,15-17,26H,11-14H2;2*1H
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SB 431542CAS号: 301836-41-9分子式: C22H16N4O3 分子量: 384.39IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamideSMILES: C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5InChIKey: FHYUGAJXYORMHI-UHFFFAOYSA-NInChI: 1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
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XAV 939CAS号: 284028-89-3 Compound CID : 135418940分子式: C14H11F3N2OS 分子量: 312.31IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-oneSMILES: C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)FInChIKey: KLGQSVMIPOVQAX-UHFFFAOYSA-NInChI: 1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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Y-27632 dihydrochlorideCAS号: 129830-38-2分子式: C14H21N3O·2HCl 分子量: 320.26IUPAC Name: 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochlorideSMILES: Cl.Cl.C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2InChIKey: IDDDVXIUIXWAGJ-DDSAHXNVSA-NInChI: 1S/C14H21N3O.2ClH/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;;/h6-12H,2-5,15H2,1H3,(H,16,17,18);2*1H/t10-,11?,12?;;/m1../s1
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Y-27632 dihydrochlorideCAS号: 129830-38-2分子式: C14H21N3O·2HCl 分子量: 320.26IUPAC Name: 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochlorideSMILES: Cl.Cl.C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2InChIKey: IDDDVXIUIXWAGJ-DDSAHXNVSA-NInChI: 1S/C14H21N3O.2ClH/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;;/h6-12H,2-5,15H2,1H3,(H,16,17,18);2*1H/t10-,11?,12?;;/m1../s1
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LaduviglusibCAS号: 252917-06-9分子式: C22H18Cl2N8 分子量: 465.34IUPAC Name: 6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrileSMILES: CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#NInChIKey: AQGNHMOJWBZFQQ-UHFFFAOYSA-NInChI: 1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)
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SB-431542CAS号: 301836-41-9分子式: C22H16N4O3 分子量: 384.39IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamideSMILES: C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5InChIKey: FHYUGAJXYORMHI-UHFFFAOYSA-NInChI: 1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
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前列腺素E2CAS号: 363-24-6分子式: C20H32O5 分子量: 352.47IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acidSMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)OInChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-NInChI: 1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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