General Information of the Compound
| Compound ID |
CP0378089
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| Compound Name |
methyl 2-[4-[[[4-methyl-3-(3,3,3-trifluoropropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate
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| Structure |
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| Formula |
C24H22F3N3O3
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| Molecular Weight |
457.452
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC(F)(F)F)cc1
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| InChI |
InChI=1S/C24H22F3N3O3/c1-15-11-12-28-22(21(15)30-20(31)13-24(25,26)27)29-14-16-7-9-17(10-8-16)18-5-3-4-6-19(18)23(32)33-2/h3-12H,13-14H2,1-2H3,(H,28,29)(H,30,31)
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| InChIKey |
PSFPVZKHQHEISC-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