General Information of the Compound
| Compound ID |
CP0553931
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| Compound Name |
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methoxypyridine-3-carboxamide
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| Structure |
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| Formula |
C24H21ClFN3O3
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| Molecular Weight |
453.901
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| Canonical SMILES |
COc1ncccc1C(=O)N([C@@H](C(N)=O)c1ccccc1)[C@@H]1CCc2c1cc(Cl)cc2F
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| InChI |
InChI=1S/C24H21ClFN3O3/c1-32-23-17(8-5-11-28-23)24(31)29(21(22(27)30)14-6-3-2-4-7-14)20-10-9-16-18(20)12-15(25)13-19(16)26/h2-8,11-13,20-21H,9-10H2,1H3,(H2,27,30)/t20-,21-/m1/s1
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| InChIKey |
YEGJBUBKJSSWNZ-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