化学生物学
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6-氟-1H-吲唑-3-醇CAS号 : 862274-39-3 Compound CID : 24728218分子式: C7H5FN2O 分子量: 152.13IUPAC Name: 6-fluoro-1,2-dihydroindazol-3-oneSMILES: C1=CC2=C(C=C1F)NNC2=OInChIKey: KBPHAHZMJXVUPU-UHFFFAOYSA-NInChI: InChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
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5-甲基噻吩-3-羧酸CAS号 : 19156-50-4 Compound CID : 209069分子式: C6H6O2S 分子量: 142.18IUPAC Name: 5-methylthiophene-3-carboxylic acidSMILES: CC1=CC(=CS1)C(=O)OInChIKey: VFORWJLUXKGLAH-UHFFFAOYSA-NInChI: InChI=1S/C6H6O2S/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3,(H,7,8)
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5-氯噻吩-3-羧酸CAS号 : 36157-42-3 Compound CID : 819049分子式: C5H3ClO2S 分子量: 162.59IUPAC Name: 5-chlorothiophene-3-carboxylic acidSMILES: C1=C(SC=C1C(=O)O)ClInChIKey: POVPYUUZOZBLOH-UHFFFAOYSA-NInChI: InChI=1S/C5H3ClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
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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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4,5-二氯噻吩-2-甲酸CAS号 : 31166-29-7 Compound CID : 305687分子式: C5H2Cl2O2S 分子量: 197.04IUPAC Name: 4,5-dichlorothiophene-2-carboxylic acidSMILES: C1=C(SC(=C1Cl)Cl)C(=O)OInChIKey: JDBAYLWBVQVMTD-UHFFFAOYSA-NInChI: InChI=1S/C5H2Cl2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
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Razaxaban盐酸盐CAS号 : 405940-76-3 Compound CID : 204101分子式: C24H21ClF4N8O2 分子量: 564.92IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;hydrochlorideSMILES: CN(C)CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F.ClInChIKey: CASCTHHMARGRLB-UHFFFAOYSA-NInChI: InChI=1S/C24H20F4N8O2.ClH/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19;/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37);1H