小分子和化合物库
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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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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/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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