按“信号通路”分类 - 小分子和化合物库

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阿扎佩隆
- ≥99%
CAS号: 1649-18-9 EC号: 216-715-8

分子式: C₁₉H₂₂FN₃O 分子量: 327.4

IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

SMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3

InChIKey: XTKDAFGWCDAMPY-UHFFFAOYSA-N

InChI: 1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
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地诺前列素
- ≥95%
CAS号: 551-11-1

分子式: C₂₀H₃₄O₅ 分子量: 354.49

IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O

InChIKey: PXGPLTODNUVGFL-YNNPMVKQSA-N

InChI: 1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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阿司咪唑
- ≥98%
CAS号: 68844-77-9 EC号: 272-441-9

分子式: C₂₈H₃₁FN₄O 分子量: 458.57

IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine

SMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

InChIKey: GXDALQBWZGODGZ-UHFFFAOYSA-N

InChI: 1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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度鲁特韦 (GSK1349572)
- ≥99%
CAS号: 1051375-16-6

分子式: C₂₀H₁₉F₂N₃O₅ 分子量: 419.38

IUPAC Name: (3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

SMILES: CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O

InChIKey: RHWKPHLQXYSBKR-BMIGLBTASA-N

InChI: 1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1
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地诺前列酮
- ≥98%
CAS号: 363-24-6

分子式: C₂₀H₃₂O₅ 分子量: 352.47

IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O

InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N

InChI: 1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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氟哌啶醇
- ≥98%
CAS号: 52-86-8 EC号: 200-155-6

分子式: C₂₁H₂₃ClFNO₂ 分子量: 375.86

IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

SMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

InChIKey: LNEPOXFFQSENCJ-UHFFFAOYSA-N

InChI: 1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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拉罗皮兰
- ≥99%
CAS号: 571170-77-9

分子式: C₂₁H₁₉ClFNO₄S 分子量: 435.9

IUPAC Name: 2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid

SMILES: CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CCC3CC(=O)O)CC4=CC=C(C=C4)Cl)F

InChIKey: NXFFJDQHYLNEJK-CYBMUJFWSA-N

InChI: 1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
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1,3-二邻甲苯基胍
- ≥99%
CAS号: 97-39-2 EC号: 202-577-6

分子式: C₁₅H₁₇N₃ 分子量: 239.32

IUPAC Name: 1,2-bis(2-methylphenyl)guanidine

SMILES: CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N

InChIKey: OPNUROKCUBTKLF-UHFFFAOYSA-N

InChI: 1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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塞曲司特
- ≥97%
CAS号: 112665-43-7 Compound CID : 2449

分子式: C₂₂H₂₆O₄ 分子量: 354.45

IUPAC Name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid

SMILES: CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C

InChIKey: ZBVKEHDGYSLCCC-UHFFFAOYSA-N

InChI: 1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)
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氯喹
- ≥97%
CAS号: 54-05-7 EC号: 200-191-2

分子式: C₁₈H₂₆ClN₃ 分子量: 319.87

IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl

InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N

InChI: 1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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伐诺司林二盐酸盐
- ≥98%
CAS号: 67469-78-7 Compound CID : 104920

分子式: C₂₈H₃₂F₂N₂O.2HCl 分子量: 523.49

IUPAC Name: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride

SMILES: C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl

InChIKey: MIBSKSYCRFWIRU-UHFFFAOYSA-N

InChI: 1S/C28H32F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-3,5-6,8-15,28H,4,7,16-22H2;2*1H
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伊洛前列素
- ≥97%
CAS号: 78919-13-8

分子式: C₂₂H₃₂O₄ 分子量: 360.49

IUPAC Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid

SMILES: CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O

InChIKey: HIFJCPQKFCZDDL-ACWOEMLNSA-N

InChI: 1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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