General Information of the Compound
| Compound ID |
CP0392380
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| Compound Name |
(3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C19H27N3O
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| Molecular Weight |
313.445
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| Canonical SMILES |
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C19H27N3O/c23-19-20-17-8-4-5-9-18(17)22(19)16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2,(H,20,23)/t17-,18-/m1/s1
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| InChIKey |
LOTBQJOSUYUTOG-QZTJIDSGSA-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