General Information of the Compound
| Compound ID |
CP0515126
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| Compound Name |
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C22H15F4N5OS
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| Molecular Weight |
473.455
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| Canonical SMILES |
Cc1sc(NC(=O)c2ccc(Nc3ccncn3)cc2)nc1-c1cccc(c1F)C(F)(F)F
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| InChI |
InChI=1S/C22H15F4N5OS/c1-12-19(15-3-2-4-16(18(15)23)22(24,25)26)30-21(33-12)31-20(32)13-5-7-14(8-6-13)29-17-9-10-27-11-28-17/h2-11H,1H3,(H,27,28,29)(H,30,31,32)
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| InChIKey |
KDWKMXBHMXCWJS-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