按“信号通路”分类 - 小分子和化合物库

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帕莫酸
- ≥97%
CAS号: 130-85-8 EC号: 204-998-0

分子式: C₂₃H₁₆O₆ 分子量: 388.37

IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid

SMILES: C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChIKey: WLJNZVDCPSBLRP-UHFFFAOYSA-N

InChI: 1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
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沃替西汀
- ≥98%
CAS号: 508233-74-7 EC号: 823-919-6 Compound CID : 9966051

分子式: C₁₈H₂₂N₂S 分子量: 298.45

IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine

SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C

InChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-N

InChI: 1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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布美他尼
- ≥98%
CAS号: 28395-03-1 EC号: 249-004-6

分子式: C₁₇H₂₀N₂O₅S 分子量: 364.42

IUPAC Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid

SMILES: CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

InChIKey: MAEIEVLCKWDQJH-UHFFFAOYSA-N

InChI: 1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
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氯氮平
- ≥98%
CAS号: 5786-21-0

分子式: C₁₈H₁₉ClN₄ 分子量: 326.82

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N

InChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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吡咯喹啉醌 (PQQ)
- ≥98%(HPLC)
CAS号: 72909-34-3

分子式: C₁₄H₆N₂O₈ 分子量: 330.21

IUPAC Name: 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid

SMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)O

InChIKey: MMXZSJMASHPLLR-UHFFFAOYSA-N

InChI: 1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
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鞣花酸
- ≥96%
CAS号: 476-66-4 EC号: 207-508-3

分子式: C₁₄H₆O₈ 分子量: 302.19

IUPAC Name: 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

SMILES: C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O

InChIKey: AFSDNFLWKVMVRB-UHFFFAOYSA-N

InChI: 1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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呋塞米
- ≥98%
CAS号: 54-31-9 EC号: 200-203-6

分子式: C₁₂H₁₁ClN₂O₅S 分子量: 330.74

IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid

SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N

InChI: 1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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犬尿喹啉酸
- ≥97%
CAS号: 492-27-3 EC号: 207-751-5

分子式: C₁₀H₇NO₃ 分子量: 189.17

IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acid

SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O

InChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-N

InChI: 1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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凯他色林
- ≥97%
CAS号: 74050-98-9 EC号: 281-062-8, 277-680-2

分子式: C₂₂H₂₂FN₃O₃ 分子量: 395.43

IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione

SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O

InChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-N

InChI: 1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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双香豆素
- ≥98%
CAS号: 66-76-2

分子式: C₁₉H₁₂O₆ 分子量: 336.3

IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one

SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O

InChIKey: DOBMPNYZJYQDGZ-UHFFFAOYSA-N

InChI: 1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
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5-羟基色胺
- ≥98%(HPLC)
CAS号: 50-67-9

分子式: C₁₀H₁₂N₂O 分子量: 176.22

IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol

SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN

InChIKey: QZAYGJVTTNCVMB-UHFFFAOYSA-N

InChI: 1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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CID 2745687,孤儿受体GPR35抑制剂
- ≥95%
CAS号: 264233-05-8

分子式: C₁₇H₁₉F₂N₅O₂S 分子量: 395.43

IUPAC Name: methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate

SMILES: CC(C)(C)NC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC

InChIKey: CYNLZIBKERMMOA-AWQFTUOYSA-N

InChI: 1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)/b20-9+
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