General Information of the Compound
| Compound ID |
CP0461108
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| Compound Name |
3-cyano-4-hydroxy-N-[(E)-[4-(propan-2-ylsulfonylmethyl)naphthalen-1-yl]methylideneamino]benzamide
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| Structure |
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| Formula |
C23H21N3O4S
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| Molecular Weight |
435.505
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| Canonical SMILES |
CC(C)S(=O)(=O)Cc1ccc(\C=N\NC(=O)c2ccc(O)c(c2)C#N)c2ccccc12
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| InChI |
InChI=1S/C23H21N3O4S/c1-15(2)31(29,30)14-18-8-7-17(20-5-3-4-6-21(18)20)13-25-26-23(28)16-9-10-22(27)19(11-16)12-24/h3-11,13,15,27H,14H2,1-2H3,(H,26,28)/b25-13+
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| InChIKey |
YXPSGLDCAGRKRY-DHRITJCHSA-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