General Information of the Compound
| Compound ID |
CP0431442
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| Compound Name |
3-cyano-N-[(E)-[1-[4-(dimethylamino)benzoyl]indol-3-yl]methylideneamino]-4-hydroxybenzamide
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| Structure |
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| Formula |
C26H21N5O3
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| Molecular Weight |
451.486
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)n1cc(\C=N\NC(=O)c2ccc(O)c(c2)C#N)c2ccccc12
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| InChI |
InChI=1S/C26H21N5O3/c1-30(2)21-10-7-17(8-11-21)26(34)31-16-20(22-5-3-4-6-23(22)31)15-28-29-25(33)18-9-12-24(32)19(13-18)14-27/h3-13,15-16,32H,1-2H3,(H,29,33)/b28-15+
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| InChIKey |
FPTUBRWHVIAXAG-RWPZCVJISA-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