General Information of the Compound
| Compound ID |
CP0501905
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| Compound Name |
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C23H18F4N6O2S
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| Molecular Weight |
518.496
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| Canonical SMILES |
OCCNc1cc(Nc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2F)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C23H18F4N6O2S/c24-20-15(2-1-3-16(20)23(25,26)27)17-11-36-22(32-17)33-21(35)13-4-6-14(7-5-13)31-19-10-18(28-8-9-34)29-12-30-19/h1-7,10-12,34H,8-9H2,(H,32,33,35)(H2,28,29,30,31)
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| InChIKey |
SVGQXNOYODLECF-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