General Information of the Compound
| Compound ID |
CP0552779
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| Compound Name |
2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H20ClFN4O2
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| Molecular Weight |
438.89
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| Canonical SMILES |
NC(=O)[C@H](N([C@@H]1CCc2c1cc(Cl)cc2F)C(=O)c1cccnc1N)c1ccccc1
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| InChI |
InChI=1S/C23H20ClFN4O2/c24-14-11-17-15(18(25)12-14)8-9-19(17)29(23(31)16-7-4-10-28-21(16)26)20(22(27)30)13-5-2-1-3-6-13/h1-7,10-12,19-20H,8-9H2,(H2,26,28)(H2,27,30)/t19-,20-/m1/s1
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| InChIKey |
UQWXSZBNADPSOU-WOJBJXKFSA-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