General Information of the Compound
| Compound ID |
CP0417193
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| Compound Name |
N-[4-[2-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C24H22FN5OS
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| Molecular Weight |
447.539
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| Canonical SMILES |
CC(C)Cc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F
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| InChI |
InChI=1S/C24H22FN5OS/c1-15(2)12-17-4-3-5-19(22(17)25)20-13-32-24(29-20)30-23(31)16-6-8-18(9-7-16)28-21-10-11-26-14-27-21/h3-11,13-15H,12H2,1-2H3,(H,26,27,28)(H,29,30,31)
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| InChIKey |
AVFAUXPMMSGRCW-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