General Information of the Compound
| Compound ID |
CP0514232
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| Compound Name |
4-((N-benzyl-4-chlorophenylsulfonamido)methyl)-N-(3-nitrophenethyl)benzamide
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| Structure |
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| Formula |
C29H26ClN3O5S
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| Molecular Weight |
564.063
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| Canonical SMILES |
[O-][N+](=O)c1cccc(CCNC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1
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| InChI |
InChI=1S/C29H26ClN3O5S/c30-26-13-15-28(16-14-26)39(37,38)32(20-23-5-2-1-3-6-23)21-24-9-11-25(12-10-24)29(34)31-18-17-22-7-4-8-27(19-22)33(35)36/h1-16,19H,17-18,20-21H2,(H,31,34)
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| InChIKey |
QBNRANXSJGXSRK-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