小分子和化合物库
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(S)-WillardiineCAS号 : 21416-43-3 Compound CID : 440053分子式: C7H9N3O4 分子量: 199.166IUPAC Name: (2S)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acidSMILES: C1=CN(C(=O)NC1=O)CC(C(=O)O)NInChIKey: FACUYWPMDKTVFU-BYPYZUCNSA-NInChI: InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
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GYKI 52466,AMPA拮抗剂CAS号 : 102771-26-6 Compound CID : 3538分子式: C17H15N3O2.HCl 分子量: 329.79IUPAC Name: 4-(8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)anilineSMILES: CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)NInChIKey: LFBZZHVSGAHQPP-UHFFFAOYSA-NInChI: InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3
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NBQX,AMPA /海藻酸盐拮抗剂CAS号 : 118876-58-7 Compound CID : 3272524分子式: C12H8N4O6S 分子量: 336.28IUPAC Name: 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamideSMILES: C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3InChIKey: UQNAFPHGVPVTAL-UHFFFAOYSA-NInChI: InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
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碳环素(碳环PGI 2)CAS号 : 69552-46-1 Compound CID : 6436393分子式: C21H34O4 分子量: 350.49IUPAC Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acidSMILES: CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)OInChIKey: XZFRIPGNUQRGPI-WBQKLGIQSA-NInChI: InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7+/t16-,17-,18+,19-,20+/m0/s1
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