General Information of the Compound
| Compound ID |
CP0522589
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| Compound Name |
3-cyano-4-hydroxy-N-[(E)-[2-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methylideneamino]benzamide
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| Structure |
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| Formula |
C25H19F3N4O4
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| Molecular Weight |
496.445
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| Canonical SMILES |
COc1cc(NC(=O)Cc2cccc(c2)C(F)(F)F)ccc1\C=N\NC(=O)c1ccc(O)c(c1)C#N
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| InChI |
InChI=1S/C25H19F3N4O4/c1-36-22-12-20(31-23(34)10-15-3-2-4-19(9-15)25(26,27)28)7-5-17(22)14-30-32-24(35)16-6-8-21(33)18(11-16)13-29/h2-9,11-12,14,33H,10H2,1H3,(H,31,34)(H,32,35)/b30-14+
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| InChIKey |
JPCQGICVJNWEJT-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