General Information of the Compound
| Compound ID |
CP0505819
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| Compound Name |
N-[4-[3-[(3-amino-2,2-dimethylpropyl)carbamoyl]phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C29H26FN5O4
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| Molecular Weight |
527.556
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| Canonical SMILES |
CC(C)(CN)CNC(=O)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
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| InChI |
InChI=1S/C29H26FN5O4/c1-29(2,15-32)16-33-27(37)18-6-3-5-17(11-18)21-13-23(20-9-8-19(30)12-24(20)36)34-26(22(21)14-31)35-28(38)25-7-4-10-39-25/h3-13,36H,15-16,32H2,1-2H3,(H,33,37)(H,34,35,38)
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| InChIKey |
FNXVBWFYIVIMIU-UHFFFAOYSA-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