General Information of the Compound
| Compound ID |
CP0539936
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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-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C24H21ClFN3O2
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| Molecular Weight |
437.902
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| Canonical SMILES |
Cc1ncccc1C(=O)N([C@@H](C(N)=O)c1ccccc1)[C@@H]1CCc2c1cc(Cl)cc2F
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| InChI |
InChI=1S/C24H21ClFN3O2/c1-14-17(8-5-11-28-14)24(31)29(22(23(27)30)15-6-3-2-4-7-15)21-10-9-18-19(21)12-16(25)13-20(18)26/h2-8,11-13,21-22H,9-10H2,1H3,(H2,27,30)/t21-,22-/m1/s1
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| InChIKey |
LKDFJGBMTHRPTF-FGZHOGPDSA-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
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4