Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8FH0S
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| Ligand Name |
1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
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| Synonyms |
1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide; SCHEMBL19552483; KHE
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| Structure |
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Download2D MOL |
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| Formula |
C28H29FN6O2
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| Canonical SMILES |
C1CC1C(=O)NC2=NN(C=C2C(=O)N)C3(CCN(CC3F)CC4=CC=C(C=C4)C5=CC=CC=C5)CC#N
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| InChI |
1S/C28H29FN6O2/c29-24-18-34(16-19-6-8-21(9-7-19)20-4-2-1-3-5-20)15-13-28(24,12-14-30)35-17-23(25(31)36)26(33-35)32-27(37)22-10-11-22/h1-9,17,22,24H,10-13,15-16,18H2,(H2,31,36)(H,32,33,37)/t24-,28+/m1/s1
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| InChIKey |
MQWQEBHHQHORKK-YWEHKCAJSA-N
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| PubChem Compound ID | ||||
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