General Information of the Compound
| Compound ID |
CP0776928
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| Compound Name |
Exo-8-[bis(2-chlorophenyl)methyl]-3-(6-fluoro-2-pyridinyl)-8-azabicyclo[3.2.1]octane
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| Formula |
C25H23Cl2FN2
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| Molecular Weight |
441.377
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| Canonical SMILES |
Fc1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1
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| InChI |
InChI=1S/C25H23Cl2FN2/c26-21-8-3-1-6-19(21)25(20-7-2-4-9-22(20)27)30-17-12-13-18(30)15-16(14-17)23-10-5-11-24(28)29-23/h1-11,16-18,25H,12-15H2/t16-,17+,18-
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| InChIKey |
CCSVRAYNXZJMEX-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