General Information of the Compound
| Compound ID |
CP0297485
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| Compound Name |
(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-piperidin-2-yl-8-azabicyclo[3.2.1]octane
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| Structure |
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| Formula |
C25H30Cl2N2
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| Molecular Weight |
429.435
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| Canonical SMILES |
Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1)c1ccccc1Cl
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| InChI |
InChI=1S/C25H30Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-4,7-10,17-19,24-25,28H,5-6,11-16H2/t18-,19-,24?/m0/s1
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| InChIKey |
SKXWCOZMJNQGQP-QHEXFSSWSA-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