General Information of the Compound
| Compound ID |
CP0920419
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| Compound Name |
exo-8-[Bis(2-chlorophenyl)methyl]-3-(5-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 |
Fc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1
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| InChI |
InChI=1S/C25H23Cl2FN2/c26-22-7-3-1-5-20(22)25(21-6-2-4-8-23(21)27)30-18-10-11-19(30)14-16(13-18)24-12-9-17(28)15-29-24/h1-9,12,15-16,18-19,25H,10-11,13-14H2/t16-,18+,19-
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| InChIKey |
DUPSKIYDOWRLEX-GGPHIMKMSA-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