General Information of the Compound
| Compound ID |
CP0439837
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| Compound Name |
4-{4-[3-Hydroxy-3-(3-hydroxy-phenyl)-3-phenyl-propyl]-[1,4]diazepan-1-ylmethyl}-benzenesulfonamide
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| Structure |
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| Formula |
C27H33N3O4S
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| Molecular Weight |
495.645
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| Canonical SMILES |
NS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1
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| InChI |
InChI=1S/C27H33N3O4S/c28-35(33,34)26-12-10-22(11-13-26)21-30-16-5-15-29(18-19-30)17-14-27(32,23-6-2-1-3-7-23)24-8-4-9-25(31)20-24/h1-4,6-13,20,31-32H,5,14-19,21H2,(H2,28,33,34)
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| InChIKey |
YJDWKZUPERRHIJ-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