General Information of the Compound
| Compound ID |
CP0858742
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| Compound Name |
endo-8-(bis(2-chlorophenyl)methyl)-3-(3,6-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(c2nc(F)ccc2F)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C26H23Cl2F2N3O/c27-19-7-3-1-5-17(19)23(18-6-2-4-8-20(18)28)33-15-9-10-16(33)14-26(13-15,25(31)34)24-21(29)11-12-22(30)32-24/h1-8,11-12,15-16,23H,9-10,13-14H2,(H2,31,34)/t15-,16+,26-
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| InChIKey |
ABZVRDRWGKAJJI-YBCKSGLRSA-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