化学生物学
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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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5-(4-氟苯基)-1,3,4-恶二唑-2(3 H )-酮CAS号 : 121649-18-1 Compound CID : 2535079分子式: C8H5FN2O2 分子量: 180.14IUPAC Name: 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-oneSMILES: C1=CC(=CC=C1C2=NNC(=O)O2)FInChIKey: GJHOBBCSKKRRBE-UHFFFAOYSA-NInChI: InChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
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5-(2-氟苯基)-1,3,4-噁二唑-2(3H)-酮CAS号 : 1044766-09-7 Compound CID : 24902248分子式: C8H5FN2O2 分子量: 180.14IUPAC Name: 5-(2-fluorophenyl)-3H-1,3,4-oxadiazol-2-oneSMILES: C1=CC=C(C(=C1)C2=NNC(=O)O2)FInChIKey: GRLMQTZJXSLUBV-UHFFFAOYSA-NInChI: InChI=1S/C8H5FN2O2/c9-6-4-2-1-3-5(6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
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5-(4-硝基苯基)-3H-1,3,4-恶二唑-2-酮CAS号 : 41125-77-3 Compound CID : 12777258分子式: C8H5N3O4 分子量: 207.1IUPAC Name: 5-(4-nitrophenyl)-3H-1,3,4-oxadiazol-2-oneSMILES: C1=CC(=CC=C1C2=NNC(=O)O2)[N+](=O)[O-]InChIKey: ADUFTMJBLYUADS-UHFFFAOYSA-NInChI: InChI=1S/C8H5N3O4/c12-8-10-9-7(15-8)5-1-3-6(4-2-5)11(13)14/h1-4H,(H,10,12)
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2-(2-氯吡啶-4-基)-1,5,6,7-四氢-4H-吡咯并[3,2-c]吡啶-4-酮CAS号 : 724726-05-0 Compound CID : 16720432分子式: C12H10ClN3O 分子量: 247.68IUPAC Name: 2-(2-chloropyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-oneSMILES: C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)ClInChIKey: JTRXEPCDEVNYPE-UHFFFAOYSA-NInChI: InChI=1S/C12H10ClN3O/c13-11-5-7(1-3-14-11)10-6-8-9(16-10)2-4-15-12(8)17/h1,3,5-6,16H,2,4H2,(H,15,17)