General Information of the Compound
| Compound ID |
CP0570380
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| Compound Name |
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H19F2N3O2
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| Molecular Weight |
407.42
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| Canonical SMILES |
NC(=O)[C@H](N([C@@H]1CCc2c1cc(F)cc2F)C(=O)c1cccnc1)c1ccccc1
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| InChI |
InChI=1S/C23H19F2N3O2/c24-16-11-18-17(19(25)12-16)8-9-20(18)28(23(30)15-7-4-10-27-13-15)21(22(26)29)14-5-2-1-3-6-14/h1-7,10-13,20-21H,8-9H2,(H2,26,29)/t20-,21-/m1/s1
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| InChIKey |
XQQCXDMAMBRFIA-NHCUHLMSSA-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