小分子和化合物库
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L-655,708,苯二氮卓类反向激动剂CAS号 : 130477-52-0 Compound CID : 5311203分子式: C18H19N3O4 分子量: 341.37IUPAC Name: ethyl (7S)-15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylateSMILES: CCOC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4)OCInChIKey: YKYOQIXTECBVBB-AWEZNQCLSA-NInChI: InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
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氟马西尼CAS号 : 78755-81-4(DMSO)分子式: C15H14FN3O3 分子量: 303.29SMILES: CCOC(=O)C1=C2CN(C)C(=O)C3=CC(=CC=C3[N]2C=N1)F
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恩贝酸CAS号 : 550-24-3(DMSO) Compound CID : 3218分子式: C17H26O4 分子量: 294.39IUPAC Name: 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dioneSMILES: CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)OInChIKey: IRSFLDGTOHBADP-UHFFFAOYSA-NInChI: InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
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GPR84 antagonist 8CAS号 : 1445846-30-9(DMSO)分子式: C23H23N3O5 分子量: 421.4SMILES: C1CN2C(=CC(=NC2=O)OCC3COCCO3)C4=C1C=C(C=C4)OCC5=CC=CC=N5
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GPR84 antagonist 8CAS号 : 1445846-30-9 Compound CID : 71598639分子式: C23H23N3O5 分子量: 421.4IUPAC Name: 2-(1,4-dioxan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-oneSMILES: C1CN2C(=CC(=NC2=O)OCC3COCCO3)C4=C1C=C(C=C4)OCC5=CC=CC=N5InChIKey: KSGKMLVYIUJQMZ-UHFFFAOYSA-NInChI: InChI=1S/C23H23N3O5/c27-23-25-22(31-15-19-14-28-9-10-29-19)12-21-20-5-4-18(11-16(20)6-8-26(21)23)30-13-17-3-1-2-7-24-17/h1-5,7,11-12,19H,6,8-10,13-15H2
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右旋比扣扣灵碱分子式: C20H17NO6 分子量: 367.35IUPAC Name: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-oneSMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3InChIKey: IYGYMKDQCDOMRE-ZWKOTPCHSA-NInChI: InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
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3,3'-亚甲基二吲哚分子式: C17H14N2 分子量: 246.31IUPAC Name: 3-(1H-indol-3-ylmethyl)-1H-indoleSMILES: C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43InChIKey: VFTRKSBEFQDZKX-UHFFFAOYSA-NInChI: InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
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