General Information of the Compound
| Compound ID |
CP0874932
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| Compound Name |
exo-6-[8-[Bis(2-chlorophenyl)-methyl]-8-azabicyclo[3.2.1]oct-3-yl]-3-pyridinol
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| Formula |
C25H24Cl2N2O
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| Molecular Weight |
439.386
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| Canonical SMILES |
Oc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1
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| InChI |
InChI=1S/C25H24Cl2N2O/c26-22-7-3-1-5-20(22)25(21-6-2-4-8-23(21)27)29-17-9-10-18(29)14-16(13-17)24-12-11-19(30)15-28-24/h1-8,11-12,15-18,25,30H,9-10,13-14H2/t16-,17+,18-
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| InChIKey |
ROMUGJLHDLJNCR-BCDXTJNWSA-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