按“信号通路”分类 - 小分子和化合物库

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醋酸甲羟孕酮
- ≥98%
CAS号: 71-58-9 EC号: 200-757-9

分子式: C₂₄H₃₄O₄ 分子量: 386.52

IUPAC Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

SMILES: CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C

InChIKey: PSGAAPLEWMOORI-PEINSRQWSA-N

InChI: 1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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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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3-苯氧基苯甲酸
- ≥98%
CAS号: 3739-38-6 Compound CID : 19539

分子式: C₁₃H₁₀O₃ 分子量: 214.22

IUPAC Name: 3-phenoxybenzoic acid

SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O

InChIKey: NXTDJHZGHOFSQG-UHFFFAOYSA-N

InChI: 1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
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托灭酸
- ≥98%
CAS号: 13710-19-5 EC号: 237-264-3 Compound CID : 610479

分子式: C₁₄H₁₂ClNO₂ 分子量: 261.7

IUPAC Name: 2-(3-chloro-2-methylanilino)benzoic acid

SMILES: CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O

InChIKey: YEZNLOUZAIOMLT-UHFFFAOYSA-N

InChI: 1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
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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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Dinaciclib (SCH727965),新型CDK抑制剂
- ≥98%
CAS号: 779353-01-4

分子式: C₂₁H₂₈N₆O₂ 分子量: 396.49

IUPAC Name: 2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol

SMILES: CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCCC4CCO

InChIKey: PIMQWRZWLQKKBJ-SFHVURJKSA-N

InChI: 1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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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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吲哚美辛 (NSC-77541)
- ≥99%
CAS号: 53-86-1 EC号: 200-186-5

分子式: C₁₉H₁₆ClNO₄ 分子量: 357.79

IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O

InChIKey: CGIGDMFJXJATDK-UHFFFAOYSA-N

InChI: 1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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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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亚油酸
- ≥99%(GC)
CAS号: 60-33-3 EC号: 200-470-9

分子式: C₁₈H₃₂O₂ 分子量: 280.45

IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoic acid

SMILES: CCCCCC=CCC=CCCCCCCCC(=O)O

InChIKey: OYHQOLUKZRVURQ-HZJYTTRNSA-N

InChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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