General Information of the Compound
| Compound ID |
CP0486831
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| Compound Name |
N-[4-(2-fluoro-3-methoxyphenyl)-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C21H16FN5O2S
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| Molecular Weight |
421.457
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| Canonical SMILES |
COc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F
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| InChI |
InChI=1S/C21H16FN5O2S/c1-29-17-4-2-3-15(19(17)22)16-11-30-21(26-16)27-20(28)13-5-7-14(8-6-13)25-18-9-10-23-12-24-18/h2-12H,1H3,(H,23,24,25)(H,26,27,28)
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| InChIKey |
YCTGLFYLERVMCQ-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