General Information of the Compound
| Compound ID |
CP0507870
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| Compound Name |
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-4-[[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C23H17F4N7O2S
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| Molecular Weight |
531.495
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| Canonical SMILES |
OC1CN(C1)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(ns2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C23H17F4N7O2S/c24-17-6-3-13(7-16(17)23(25,26)27)20-31-22(37-33-20)32-21(36)12-1-4-14(5-2-12)30-18-8-19(29-11-28-18)34-9-15(35)10-34/h1-8,11,15,35H,9-10H2,(H,28,29,30)(H,31,32,33,36)
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| InChIKey |
JOVDVIIPDXZESZ-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