合成有机化合物配体 - 小分子和化合物库

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PF-3845,不可逆FAAH抑制剂
- ≥98%
CAS号: 1196109-52-0

分子式: C₂₄H₂₃F₃N₄O₂

IUPAC Name: N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide

SMILES: C1CN(CCC1CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=CN=CC=C4

InChIKey: NBOJHRYUGLRASX-UHFFFAOYSA-N

InChI: 1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)
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PF-04457845,不可逆FAAH抑制剂
- ≥98%
CAS号: 1020315-31-4

分子式: C₂₃H₂₀F₃N₅O₂ 分子量: 455.43

IUPAC Name: N-pyridazin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide

SMILES: C1CN(CCC1=CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=NN=CC=C4

InChIKey: BATCTBJIJJEPHM-UHFFFAOYSA-N

InChI: 1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)
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URB597,FAAH抑制剂
- ≥98%
CAS号: 546141-08-6 Compound CID : 1383884

分子式: C₂₀H₂₂N₂O₃ 分子量: 338.4

IUPAC Name: [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate

SMILES: C1CCC(CC1)NC(=O)OC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)N

InChIKey: ROFVXGGUISEHAM-UHFFFAOYSA-N

InChI: 1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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JNJ-1661010,FAAH抑制剂
- ≥98%
CAS号: 681136-29-8

分子式: C₁₉H₁₉N₅OS 分子量: 365.45

IUPAC Name: N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

SMILES: C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChIKey: BHBOSTKQCZEAJM-UHFFFAOYSA-N

InChI: 1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)
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AACOCF3（花生四烯酸三氟甲基酮）
- ≥98%
- 10 mg/mL in ethanol
CAS号: 149301-79-1

分子式: C₂₁H₃₁F₃O 分子量: 356.47

IUPAC Name: (6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)C(F)(F)F

InChIKey: PLWROONZUDKYKG-DOFZRALJSA-N

InChI: 1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
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JZL195
- ≥98%
CAS号: 1210004-12-8

分子式: C₂₄H₂₃N₃O₅ 分子量: 433.5

IUPAC Name: (4-nitrophenyl) 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate

SMILES: C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChIKey: QNYRAEKLMNDRFY-UHFFFAOYSA-N

InChI: 1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2
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HELSS,Ca 2+独立PLA 2抑制剂
- ≥98%
CAS号: 88070-98-8

分子式: C₁₆H₁₃BrO₂ 分子量: 317.2

IUPAC Name: (6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one

SMILES: C1CC(=CBr)OC(=O)C1C2=CC=CC3=CC=CC=C32

InChIKey: BYUCSFWXCMTYOI-ZRDIBKRKSA-N

InChI: 1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+
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URB 937
- ≥98%
CAS号: 1357160-72-5 Compound CID : 53394762

分子式: C₂₀H₂₂N₂O₄ 分子量: 354.4

IUPAC Name: [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate

SMILES: C1CCC(CC1)NC(=O)OC2=CC(=C(C=C2)O)C3=CC(=CC=C3)C(=O)N

InChIKey: CMEQHOXCIGFZNJ-UHFFFAOYSA-N

InChI: 1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
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JZL184
- ≥96%
CAS号: 1101854-58-3

分子式: C₂₇H₂₄N₂O₉ 分子量: 520.5

IUPAC Name: (4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate

SMILES: C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]

InChIKey: SEGYOKHGGFKMCX-UHFFFAOYSA-N

InChI: 1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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JNJ-42165279
- ≥98%
CAS号: 1346528-50-4 EC号: 869-257-1

分子式: C₁₈H₁₇ClF₂N₄O₃ 分子量: 410.8

IUPAC Name: N-(4-chloropyridin-3-yl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide

SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)NC4=C(C=CN=C4)Cl

InChIKey: YWGYNGCRVZLMCS-UHFFFAOYSA-N

InChI: 1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)
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BIA 10-2474
- ≥98%
CAS号: 1233855-46-3

分子式: C₁₆H₂₀N₄O₂ 分子量: 300.36

IUPAC Name: N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamide

SMILES: CN(C1CCCCC1)C(=O)N2C=C(N=C2)C3=C[N+](=CC=C3)[O-]

InChIKey: DOWVMJFBDGWVML-UHFFFAOYSA-N

InChI: 1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3
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JZL184
- ≥97%
CAS号: 1101854-58-3

分子式: C₂₇H₂₄N₂O₉ 分子量: 520.5

IUPAC Name: (4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate

SMILES: C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]

InChIKey: SEGYOKHGGFKMCX-UHFFFAOYSA-N

InChI: 1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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