General Information of the Compound
| Compound ID |
CP0417478
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| Compound Name |
(1R,5R)-8-[bis(2-chlorophenyl)methyl]-3-piperidin-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide
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| Structure |
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| Formula |
C26H31Cl2N3O
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| Molecular Weight |
472.46
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| Canonical SMILES |
NC(=O)C1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CCCCN1
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| InChI |
InChI=1S/C26H31Cl2N3O/c27-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)28)31-17-12-13-18(31)16-26(15-17,25(29)32)23-11-5-6-14-30-23/h1-4,7-10,17-18,23-24,30H,5-6,11-16H2,(H2,29,32)/t17-,18-,23?/m1/s1
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| InChIKey |
LIGAXKWGEDSCQR-JGUPTHKFSA-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