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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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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N8-[(2S)-3,3-二甲基丁烷-2-基] -N2-[2-甲氧基-4-(1-甲基-1H-吡唑-4-基)苯基]吡啶基[3,4-d]嘧啶-2,8-二胺CAS号 : 1578244-34-4 Compound CID : 73386882分子式: C24H29N7O 分子量: 431.5334IUPAC Name: 8-N-[(2S)-3,3-dimethylbutan-2-yl]-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamineSMILES: CC(C(C)(C)C)NC1=NC=CC2=CN=C(N=C21)NC3=C(C=C(C=C3)C4=CN(N=C4)C)OCInChIKey: XTJZKALDRPVFSN-HNNXBMFYSA-NInChI: InChI=1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m0/s1
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缬苯那嗪CAS号 : 1025504-45-3 Compound CID : 24795069分子式: C24H38N2O4 分子量: 418.57IUPAC Name: [(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoateSMILES: CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C(C(C)C)N)OC)OCInChIKey: GEJDGVNQKABXKG-CFKGEZKQSA-NInChI: InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1