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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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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Tolterodine-L-酒石酸盐CAS号 : 124937-51-5 Compound CID : 443879分子式: C22H31NO 分子量: 325.5IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenolSMILES: CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2InChIKey: OOGJQPCLVADCPB-HXUWFJFHSA-NInChI: InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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LY2033298CAS号 : 886047-13-8 Compound CID : 11536903分子式: C13H14ClN3O2S 分子量: 311.79IUPAC Name: 3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamideSMILES: CC1=C2C(=C(SC2=NC(=C1Cl)OC)C(=O)NC3CC3)NInChIKey: CTEGQKDJTBWFHW-UHFFFAOYSA-NInChI: InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18)
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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)