按“信号通路”分类 - 小分子和化合物库

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阿洛司琼
CAS号: 122852-42-0

分子式: C₁₇H₁₈N₄O 分子量: 294.35

IUPAC Name: 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one

SMILES: CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C

InChIKey: JSWZEAMFRNKZNL-UHFFFAOYSA-N

InChI: 1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
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阿立哌唑
- ≥99%
CAS号: 129722-12-9

分子式: C₂₃H₂₇Cl₂N₃O₂ 分子量: 448.39

IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N

InChI: 1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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米尔塔扎平
- ≥98%
CAS号: 85650-52-8

分子式: C₁₇H₁₉N₃ 分子量: 265.35

IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

SMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4

InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-N

InChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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奥氮平
- ≥99%
CAS号: 132539-06-1

分子式: C₁₇H₂₀N₄S 分子量: 312.43

IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N

InChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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恩丹西酮
- ≥99%
CAS号: 99614-02-5

分子式: C₁₈H₁₉N₃O 分子量: 293.36

IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one

SMILES: CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C

InChIKey: FELGMEQIXOGIFQ-UHFFFAOYSA-N

InChI: 1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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帕洛诺司琼
- ≥98%
CAS号: 135729-61-2

分子式: C₁₉H₂₄N₂O 分子量: 296.42

IUPAC Name: (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one

SMILES: C1CC2CN(C(=O)C3=CC=CC(=C23)C1)C4CN5CCC4CC5

InChIKey: CPZBLNMUGSZIPR-NVXWUHKLSA-N

InChI: 1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
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普卡必利
- ≥99%
CAS号: 179474-81-8

分子式: C₁₈H₂₆ClN₃O₃ 分子量: 367.87

IUPAC Name: 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

SMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

InChIKey: ZPMNHBXQOOVQJL-UHFFFAOYSA-N

InChI: 1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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2,2,2-三氯乙醇
- ≥98%
CAS号: 115-20-8 EC号: 204-071-0 Compound CID : 8259

分子式: C₂H₃Cl₃O 分子量: 149.4

IUPAC Name: 2,2,2-trichloroethanol

SMILES: C(C(Cl)(Cl)Cl)O

InChIKey: KPWDGTGXUYRARH-UHFFFAOYSA-N

InChI: 1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
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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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VUF 10166,5-HT3拮抗剂
- ≥99%
CAS号: 155584-74-0 Compound CID : 24278976

分子式: C₁₃H₁₅ClN₄ 分子量: 262.74

IUPAC Name: 2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline

SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2Cl

InChIKey: FFXVTQDGTKEXHF-UHFFFAOYSA-N

InChI: 1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
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白果内酯
CAS号: 33570-04-6

分子式: C₁₅H₁₈O₈ 分子量: 326.3

IUPAC Name: (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione

SMILES: CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)O

InChIKey: MOLPUWBMSBJXER-YDGSQGCISA-N

InChI: 1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
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白果内酯
- ≥98%
CAS号: 33570-04-6

分子式: C₁₅H₁₈O₈ 分子量: 326.3

IUPAC Name: (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione

SMILES: CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)O

InChIKey: MOLPUWBMSBJXER-YDGSQGCISA-N

InChI: 1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
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