General Information of the Compound
| Compound ID |
CP0425368
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| Compound Name |
4'-{(R)-1-[4-Methyl-3-(3,3,3-trifluoro-propionylamino)-pyridin-2-ylamino]-ethyl}-biphenyl-2-carboxylic acid methylamide
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| Structure |
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| Formula |
C25H25F3N4O2
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| Molecular Weight |
470.495
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| Canonical SMILES |
CNC(=O)c1ccccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC(F)(F)F
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| InChI |
InChI=1S/C25H25F3N4O2/c1-15-12-13-30-23(22(15)32-21(33)14-25(26,27)28)31-16(2)17-8-10-18(11-9-17)19-6-4-5-7-20(19)24(34)29-3/h4-13,16H,14H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t16-/m1/s1
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| InChIKey |
PLYGOPSRARZLEU-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