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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1-[(氨氧基氧基)甲基] -4-氟苯氯CAS号 : 51572-89-5 Compound CID : 12800721分子式: C7H9ClFNO 分子量: 177.6IUPAC Name: O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochlorideSMILES: C1=CC(=CC=C1CON)F.ClInChIKey: YZNDOVGYWWHJBB-UHFFFAOYSA-NInChI: InChI=1S/C7H8FNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
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O-(2,4-二氯苄基)羟胺盐酸盐CAS号 : 51572-93-1 Compound CID : 2764014分子式: C7H8Cl3NO 分子量: 228.5IUPAC Name: O-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochlorideSMILES: C1=CC(=C(C=C1Cl)Cl)CON.ClInChIKey: HFZNWDNDGDEBBV-UHFFFAOYSA-NInChI: InChI=1S/C7H7Cl2NO.ClH/c8-6-2-1-5(4-11-10)7(9)3-6;/h1-3H,4,10H2;1H
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DDR1 抑制剂 7rhCAS号 : 1429617-90-2 Compound CID : 71550931分子式: C30H29F3N6O 分子量: 546.59IUPAC Name: 4-ethyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamideSMILES: CCC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)CN3CCN(CC3)C)C#CC4=CN5C(=CC=N5)N=C4InChIKey: DDLPXZXBWGJRGK-UHFFFAOYSA-NInChI: InChI=1S/C30H29F3N6O/c1-3-23-6-7-25(16-24(23)5-4-21-18-34-28-8-9-35-39(28)20-21)29(40)36-27-15-22(14-26(17-27)30(31,32)33)19-38-12-10-37(2)11-13-38/h6-9,14-18,20H,3,10-13,19H2,1-2H3,(H,36,40)
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2,2-二甲基-2H-萘并[2,3-b]吡喃-5,10-二酮CAS号 : 15297-92-4 Compound CID : 72734分子式: C15H12O3 分子量: 240.261IUPAC Name: 2,2-dimethylbenzo[g]chromene-5,10-dioneSMILES: CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)CInChIKey: OWFHAMHRUCUSRM-UHFFFAOYSA-NInChI: InChI=1S/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3