General Information of the Compound
| Compound ID |
CP0859621
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| Compound Name |
(rel)-methyl (8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-aza-bicyclo[3.2.1]octan-3-yl)methylcarbamate
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| Formula |
C29H30Cl2N2O2
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| Molecular Weight |
509.477
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| Canonical SMILES |
COC(=O)NC[C@@]1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C29H30Cl2N2O2/c1-35-28(34)32-19-29(20-9-3-2-4-10-20)17-21-15-16-22(18-29)33(21)27(23-11-5-7-13-25(23)30)24-12-6-8-14-26(24)31/h2-14,21-22,27H,15-19H2,1H3,(H,32,34)/t21-,22+,29-
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| InChIKey |
MZKLGGMSURIMAQ-ISRMLTCMSA-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