General Information of the Compound
| Compound ID |
CP0432456
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| Compound Name |
3-chloro-4-hydroxy-N-[(E)-[2-methoxy-4-[3-[4-(trifluoromethyl)phenyl]propanoylamino]phenyl]methylideneamino]benzamide
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| Structure |
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| Formula |
C25H21ClF3N3O4
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| Molecular Weight |
519.907
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| Canonical SMILES |
COc1cc(NC(=O)CCc2ccc(cc2)C(F)(F)F)ccc1\C=N\NC(=O)c1ccc(O)c(Cl)c1
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| InChI |
InChI=1S/C25H21ClF3N3O4/c1-36-22-13-19(31-23(34)11-4-15-2-7-18(8-3-15)25(27,28)29)9-5-17(22)14-30-32-24(35)16-6-10-21(33)20(26)12-16/h2-3,5-10,12-14,33H,4,11H2,1H3,(H,31,34)(H,32,35)/b30-14+
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| InChIKey |
LRKANEUOIMFIEI-AMVVHIIESA-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