General Information of the Compound
| Compound ID |
CP0435723
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| Compound Name |
3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylamino]phenyl]-N-propan-2-ylpropanamide
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| Structure |
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| Formula |
C24H26F3N3OS
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| Molecular Weight |
461.553
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| Canonical SMILES |
CC(C)NC(=O)CCc1ccc(NCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H26F3N3OS/c1-15(2)29-22(31)13-6-17-4-11-20(12-5-17)28-14-21-16(3)30-23(32-21)18-7-9-19(10-8-18)24(25,26)27/h4-5,7-12,15,28H,6,13-14H2,1-3H3,(H,29,31)
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| InChIKey |
QMCKKZDGDQZJBM-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