General Information of the Compound
| Compound ID |
CP0511885
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| Compound Name |
4-(4-benzoylamino-naphthalene-1-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)c1ccc(NC(=O)c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C25H27N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)26-24(29)18-8-4-3-5-9-18/h3-13,19,27H,2,14-17H2,1H3,(H,26,29)
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| InChIKey |
VPSUMVGLQZVOCZ-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