General Information of the Compound
| Compound ID |
CP0430081
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| Compound Name |
N-(2,4-dimethylphenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
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| Structure |
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| Formula |
C26H26N4O3S
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| Molecular Weight |
474.586
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N\N=C\c1cn(CC(=O)Nc2ccc(C)cc2C)c2ccccc12
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| InChI |
InChI=1S/C26H26N4O3S/c1-18-8-11-22(12-9-18)34(32,33)29-27-15-21-16-30(25-7-5-4-6-23(21)25)17-26(31)28-24-13-10-19(2)14-20(24)3/h4-16,29H,17H2,1-3H3,(H,28,31)/b27-15+
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| InChIKey |
NEJYOXOFYGUMKN-JFLMPSFJSA-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