General Information of the Compound
| Compound ID |
CP0541872
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| Compound Name |
4-(8-benzoylamino-naphthalene-2-sulfonylamino)-piperidine-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C25H27N3O5S
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| Molecular Weight |
481.574
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc2cccc(NC(=O)c3ccccc3)c2c1
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| InChI |
InChI=1S/C25H27N3O5S/c1-2-33-25(30)28-15-13-20(14-16-28)27-34(31,32)21-12-11-18-9-6-10-23(22(18)17-21)26-24(29)19-7-4-3-5-8-19/h3-12,17,20,27H,2,13-16H2,1H3,(H,26,29)
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| InChIKey |
RVSORAYPURWCNM-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