General Information of the Compound
| Compound ID |
CP0424763
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| Compound Name |
4-(6-(azetidin-1-yl)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 |
C23H17F4N7OS
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| Molecular Weight |
515.496
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| Canonical SMILES |
Fc1ccc(cc1C(F)(F)F)-c1nsc(NC(=O)c2ccc(Nc3cc(ncn3)N3CCC3)cc2)n1
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| InChI |
InChI=1S/C23H17F4N7OS/c24-17-7-4-14(10-16(17)23(25,26)27)20-31-22(36-33-20)32-21(35)13-2-5-15(6-3-13)30-18-11-19(29-12-28-18)34-8-1-9-34/h2-7,10-12H,1,8-9H2,(H,28,29,30)(H,31,32,33,35)
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| InChIKey |
MNSMNOIUJSIXIG-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