General Information of the Compound
| Compound ID |
CP0387968
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| Compound Name |
[4-[[2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetyl]amino]phenyl] propanoate
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| Structure |
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| Formula |
C27H26N4O5S
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| Molecular Weight |
518.595
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| Canonical SMILES |
CCC(=O)Oc1ccc(NC(=O)Cn2cc(\C=N\NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1
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| InChI |
InChI=1S/C27H26N4O5S/c1-3-27(33)36-22-12-10-21(11-13-22)29-26(32)18-31-17-20(24-6-4-5-7-25(24)31)16-28-30-37(34,35)23-14-8-19(2)9-15-23/h4-17,30H,3,18H2,1-2H3,(H,29,32)/b28-16+
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| InChIKey |
SFJVOCMNRFUVRL-LQKURTRISA-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