General Information of the Compound
| Compound ID |
CP0446527
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| Compound Name |
N-[4-(3-butyl-2-fluorophenyl)-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 |
CCCCc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F
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| InChI |
InChI=1S/C24H22FN5OS/c1-2-3-5-16-6-4-7-19(22(16)25)20-14-32-24(29-20)30-23(31)17-8-10-18(11-9-17)28-21-12-13-26-15-27-21/h4,6-15H,2-3,5H2,1H3,(H,26,27,28)(H,29,30,31)
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| InChIKey |
MYDNBARNHZVGCB-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