General Information of the Compound
| Compound ID |
CP0522827
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| Compound Name |
4-(6-(dimethylamino)pyrimidin-4-ylamino)-N-(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-yl)benzamide
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| Structure |
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| Formula |
C22H17F4N7OS
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| Molecular Weight |
503.485
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| Canonical SMILES |
CN(C)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(ns2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C22H17F4N7OS/c1-33(2)18-10-17(27-11-28-18)29-14-6-3-12(4-7-14)20(34)31-21-30-19(32-35-21)13-5-8-16(23)15(9-13)22(24,25)26/h3-11H,1-2H3,(H,27,28,29)(H,30,31,32,34)
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| InChIKey |
ZOTXREFTVLTGPQ-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