化学生物学
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盐酸法倔唑CAS号 : 102676-31-3 Compound CID : 59694分子式: C14H13N3·HCl 分子量: 259.73IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochlorideSMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.ClInChIKey: UKCVAQGKEOJTSR-UHFFFAOYSA-NInChI: InChI=1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
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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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1-(4-硝基苄基)-1H-咪唑CAS号 : 18994-90-6 Compound CID : 585819分子式: C10H9N3O2 分子量: 203.2IUPAC Name: 1-[(4-nitrophenyl)methyl]imidazoleSMILES: C1=CC(=CC=C1CN2C=CN=C2)[N+](=O)[O-]InChIKey: FLYGQJXMRPZYHQ-UHFFFAOYSA-NInChI: InChI=1S/C10H9N3O2/c14-13(15)10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8H,7H2
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1-(4-溴苄基)-1H-咪唑CAS号 : 72459-46-2 Compound CID : 2989557分子式: C10H9BrN2 分子量: 237.1IUPAC Name: 1-[(4-bromophenyl)methyl]imidazoleSMILES: C1=CC(=CC=C1CN2C=CN=C2)BrInChIKey: MZJSYLIOMLCYIS-UHFFFAOYSA-NInChI: InChI=1S/C10H9BrN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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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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2,3',4,5'-四甲氧基二苯乙烯CAS号 : 24144-92-1 Compound CID : 5354004分子式: C18H20O4 分子量: 300.35IUPAC Name: 1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzeneSMILES: COC1=CC(=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OCInChIKey: JDBCWSHYEQUBLW-AATRIKPKSA-NInChI: InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+