General Information of the Compound
| Compound ID |
CP0085020
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| Compound Name |
N-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
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| Structure |
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| Formula |
C25H31N3O
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| Molecular Weight |
389.543
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| Canonical SMILES |
O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1
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| InChI |
InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2
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| InChIKey |
YUOLKUGHNOWKJF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound