General Information of the Compound
| Compound ID |
CP0943013
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| Compound Name |
5-(4-((1s,4s)-4-phenylcyclohexyl)piperazine-1-carbonyl)pyridin-2(1H)-one
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
O=C(c1ccc(=O)[nH]c1)N1CCN([C@H]2CC[C@@H](c3ccccc3)CC2)CC1
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| InChI |
InChI=1S/C22H27N3O2/c26-21-11-8-19(16-23-21)22(27)25-14-12-24(13-15-25)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-5,8,11,16,18,20H,6-7,9-10,12-15H2,(H,23,26)/t18-,20+
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| InChIKey |
PGIFNFHFONCUJV-PUZFROQSSA-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