General Information of the Compound
| Compound ID |
CP0943014
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| Compound Name |
5-((4-((1s,4s)-4-phenylcyclohexyl)piperazin-1-yl)methyl)pyridin-2(1H)-one
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| Formula |
C22H29N3O
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| Molecular Weight |
351.494
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| Canonical SMILES |
O=c1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)c[nH]1
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| InChI |
InChI=1S/C22H29N3O/c26-22-11-6-18(16-23-22)17-24-12-14-25(15-13-24)21-9-7-20(8-10-21)19-4-2-1-3-5-19/h1-6,11,16,20-21H,7-10,12-15,17H2,(H,23,26)/t20-,21+
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| InChIKey |
XBNOINSOUBXUOE-OYRHEFFESA-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