General Information of the Compound
| Compound ID |
CP0395295
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| Compound Name |
(3aR,7aR)-1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-3-ethyl-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C29H39N3O
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| Molecular Weight |
445.651
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| Canonical SMILES |
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)C1=O
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| InChI |
InChI=1S/C29H39N3O/c1-2-31-27-15-9-10-16-28(27)32(29(31)33)25-17-20-30(21-18-25)22-19-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,25-28H,2,9-10,15-22H2,1H3/t27-,28-/m1/s1
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| InChIKey |
XRNNZNKETMVDKO-VSGBNLITSA-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
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor