General Information of the Compound
| Compound ID |
CP0858743
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| Compound Name |
endo-8-(bis(2-chlorophenyl)methyl)-3-(6-fluoropyridin-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide
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| Formula |
C26H24Cl2FN3O
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| Molecular Weight |
484.402
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| Canonical SMILES |
NC(=O)[C@]1(c2cccc(F)n2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C26H24Cl2FN3O/c27-20-8-3-1-6-18(20)24(19-7-2-4-9-21(19)28)32-16-12-13-17(32)15-26(14-16,25(30)33)22-10-5-11-23(29)31-22/h1-11,16-17,24H,12-15H2,(H2,30,33)/t16-,17+,26-
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| InChIKey |
QKYSXTKKVMLTGR-KQESFQHQSA-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