General Information of the Compound
| Compound ID |
CP0386437
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| Compound Name |
4-chloro-N-(4-(3-nitrobenzyl)benzyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
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| Structure |
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| Formula |
C26H22ClN3O4S
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| Molecular Weight |
507.999
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| Canonical SMILES |
[O-][N+](=O)c1cccc(Cc2ccc(CN(Cc3ccccn3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1
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| InChI |
InChI=1S/C26H22ClN3O4S/c27-23-11-13-26(14-12-23)35(33,34)29(19-24-5-1-2-15-28-24)18-21-9-7-20(8-10-21)16-22-4-3-6-25(17-22)30(31)32/h1-15,17H,16,18-19H2
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| InChIKey |
ZSVVCWLBBYPQBD-UHFFFAOYSA-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