General Information of the Compound
| Compound ID |
CP0316578
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| Compound Name |
2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-piperidineethanol
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| Structure |
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| Formula |
C27H34Cl2N2O
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| Molecular Weight |
473.488
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| Canonical SMILES |
OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C27H34Cl2N2O/c28-24-9-3-1-7-22(24)27(23-8-2-4-10-25(23)29)31-20-12-13-21(31)18-19(17-20)26-11-5-6-14-30(26)15-16-32/h1-4,7-10,19-21,26-27,32H,5-6,11-18H2/t20-,21-,26?/m0/s1
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| InChIKey |
XCIYQUVOTASHRS-IPEYFGQDSA-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