General Information of the Compound
| Compound ID |
CP0918778
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| Compound Name |
endo-8-(bis(2-chlorophenyl)methyl)-3-(3,5-difluoropyridin-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide
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| Formula |
C26H23Cl2F2N3O
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| Molecular Weight |
502.392
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| Canonical SMILES |
NC(=O)[C@]1(c2ncc(F)cc2F)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C26H23Cl2F2N3O/c27-20-7-3-1-5-18(20)23(19-6-2-4-8-21(19)28)33-16-9-10-17(33)13-26(12-16,25(31)34)24-22(30)11-15(29)14-32-24/h1-8,11,14,16-17,23H,9-10,12-13H2,(H2,31,34)/t16-,17+,26-
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| InChIKey |
APSCTLSVGWMNTN-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