General Information of the Compound
| Compound ID |
CP0492455
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| Compound Name |
3-cyano-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 |
C26H21F3N4O4
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| Molecular Weight |
510.472
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| Canonical SMILES |
COc1cc(NC(=O)CCc2ccc(cc2)C(F)(F)F)ccc1\C=N\NC(=O)c1ccc(O)c(c1)C#N
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| InChI |
InChI=1S/C26H21F3N4O4/c1-37-23-13-21(32-24(35)11-4-16-2-7-20(8-3-16)26(27,28)29)9-5-18(23)15-31-33-25(36)17-6-10-22(34)19(12-17)14-30/h2-3,5-10,12-13,15,34H,4,11H2,1H3,(H,32,35)(H,33,36)/b31-15+
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| InChIKey |
KKUMRKCHDDZWQQ-IBBHUPRXSA-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