General Information of the Compound
| Compound ID |
CP0503427
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| Compound Name |
3-chloro-4-hydroxy-N-[(E)-[2-methoxy-4-[[2-[4-(trifluoromethoxy)phenyl]sulfanylacetyl]amino]phenyl]methylideneamino]benzamide
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| Structure |
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| Formula |
C24H19ClF3N3O5S
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| Molecular Weight |
553.946
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| Canonical SMILES |
COc1cc(NC(=O)CSc2ccc(OC(F)(F)F)cc2)ccc1\C=N\NC(=O)c1ccc(O)c(Cl)c1
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| InChI |
InChI=1S/C24H19ClF3N3O5S/c1-35-21-11-16(30-22(33)13-37-18-7-5-17(6-8-18)36-24(26,27)28)4-2-15(21)12-29-31-23(34)14-3-9-20(32)19(25)10-14/h2-12,32H,13H2,1H3,(H,30,33)(H,31,34)/b29-12+
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| InChIKey |
CFYJQUAXHBEEGM-XKJRVUDJSA-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