General Information of the Compound
| Compound ID |
CP0511584
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| Compound Name |
4-(6-(azetidin-1-yl)pyrimidin-4-ylamino)-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)benzamide
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| Structure |
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| Formula |
C24H18F4N6OS
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| Molecular Weight |
514.508
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| Canonical SMILES |
Fc1c(cccc1C(F)(F)F)-c1csc(NC(=O)c2ccc(Nc3cc(ncn3)N3CCC3)cc2)n1
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| InChI |
InChI=1S/C24H18F4N6OS/c25-21-16(3-1-4-17(21)24(26,27)28)18-12-36-23(32-18)33-22(35)14-5-7-15(8-6-14)31-19-11-20(30-13-29-19)34-9-2-10-34/h1,3-8,11-13H,2,9-10H2,(H,29,30,31)(H,32,33,35)
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| InChIKey |
BIXPZICKNFMWJX-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