General Information of the Compound
| Compound ID |
CP0464645
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| Compound Name |
methyl 2-[4-[(1R)-1-[[4-methyl-3-(3,3,3-trifluoropropanoylamino)pyridin-2-yl]amino]ethyl]phenyl]benzoate
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| Structure |
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| Formula |
C25H24F3N3O3
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| Molecular Weight |
471.479
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC(F)(F)F
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| InChI |
InChI=1S/C25H24F3N3O3/c1-15-12-13-29-23(22(15)31-21(32)14-25(26,27)28)30-16(2)17-8-10-18(11-9-17)19-6-4-5-7-20(19)24(33)34-3/h4-13,16H,14H2,1-3H3,(H,29,30)(H,31,32)/t16-/m1/s1
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| InChIKey |
QMMWVLIFHOMJGB-MRXNPFEDSA-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