按“信号通路”分类 - 小分子和化合物库

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右旋比扣扣灵碱
CAS号: 485-49-4 EC号: 207-619-7

分子式: C₂₀H₁₇NO₆ 分子量: 367.35

IUPAC Name: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one

SMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3

InChIKey: IYGYMKDQCDOMRE-ZWKOTPCHSA-N

InChI: 1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
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右旋比扣扣灵碱
- ≥98%
CAS号: 485-49-4 EC号: 207-619-7

分子式: C₂₀H₁₇NO₆ 分子量: 367.35

IUPAC Name: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one

SMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3

InChIKey: IYGYMKDQCDOMRE-ZWKOTPCHSA-N

InChI: 1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
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D-赤型鞘氨醇-1-磷酸
- ≥98%
CAS号: 26993-30-6

分子式: C₁₈H₃₈NO₅P 分子量: 379.472

IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate

SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O

InChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-N

InChI: 1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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氟马西尼
- ≥99%(HPLC)
CAS号: 78755-81-4 EC号: 616-650-9

分子式: C₁₅H₁₄FN₃O₃ 分子量: 303.29

IUPAC Name: ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C

InChIKey: OFBIFZUFASYYRE-UHFFFAOYSA-N

InChI: 1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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异哌啶酸
- ≥98%
CAS号: 498-94-2 EC号: 207-872-3

分子式: C₆H₁₁NO₂ 分子量: 129.16

IUPAC Name: piperidine-4-carboxylic acid

SMILES: C1CNCCC1C(=O)O

InChIKey: SRJOCJYGOFTFLH-UHFFFAOYSA-N

InChI: 1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
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Ponesimod,磷酸鞘氨醇受体激动剂
- ≥97%
CAS号: 854107-55-4 Compound CID : 11363176

分子式: C23H25ClN2O4S 分子量: 460.974

IUPAC Name: (5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one

SMILES: CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C

InChIKey: LPAUOXUZGSBGDU-ULCCENQXSA-N

InChI: 1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1
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塞拉非莫德
- ≥97%
CAS号: 891859-12-4

分子式: C₂₇H₃₃NO₄ 分子量: 435.564

IUPAC Name: 1-[[6-[(2-methoxy-4-propylphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid

SMILES: CCCC1=CC(=C(C=C1)COC2=CC3=C(C=C2)C(=C(CC3)CN4CC(C4)C(=O)O)C)OC

InChIKey: QDDQIPUKAXBMBX-UHFFFAOYSA-N

InChI: 1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)
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TPA-023B
- ≥97%
CAS号: 425377-76-0 Compound CID : 9865233

分子式: C₂₁H₁₅F₂N₅O 分子量: 391.382

IUPAC Name: 3-fluoro-2-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]benzonitrile

SMILES: CC(C)(C1=NC2=NC=C(N2N=C1)C3=CC(=C(C=C3)F)C4=C(C=CC=C4F)C#N)O

InChIKey: PCZLQMGFNUNVOM-UHFFFAOYSA-N

InChI: 1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3
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芬戈莫德
- ≥97%
CAS号: 162359-55-9

分子式: C₁₉H₃₃NO₂ 分子量: 307.47

IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol

SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N

InChIKey: KKGQTZUTZRNORY-UHFFFAOYSA-N

InChI: 1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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加波沙朵
- ≥98%
CAS号: 64603-91-4

分子式: C₆H₈N₂O₂ 分子量: 140.14

IUPAC Name: 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one

SMILES: C1CNCC2=C1C(=O)NO2

InChIKey: ZXRVKCBLGJOCEE-UHFFFAOYSA-N

InChI: 1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
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TP 003,GABAA部分激动剂
- ≥98%(HPLC)
CAS号: 628690-75-5 Compound CID : 10001434

分子式: C₂₃H₁₆F₃N₃O 分子量: 407.39

IUPAC Name: 5-fluoro-2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile

SMILES: CC(C)(C1=C(C2=NC=C(N2C=C1)C3=CC(=C(C=C3)F)C4=C(C=C(C=C4)F)C#N)F)O

InChIKey: SJMMDWXJSSJHOQ-UHFFFAOYSA-N

InChI: 1S/C23H16F3N3O/c1-23(2,30)18-7-8-29-20(12-28-22(29)21(18)26)13-3-6-19(25)17(10-13)16-5-4-15(24)9-14(16)11-27/h3-10,12,30H,1-2H3
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Ro 15-4513,苯二氮卓类部分反向激动剂
- ≥98%(HPLC)
CAS号: 91917-65-6 Compound CID : 5081

分子式: C₁₅H₁₄N₆O₃ 分子量: 326.31

IUPAC Name: ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])C

InChIKey: CFSOJZTUTOQNIA-UHFFFAOYSA-N

InChI: 1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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