General Information of the Compound
| Compound ID |
CP0405757
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| Compound Name |
4-[4-(benzylamino-methyl)-naphthalene-1-sulfonylamino]piperidine-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C25H29N3O4S
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| Molecular Weight |
467.591
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C25H29N3O4S/c1-2-32-25(29)28-16-14-20(15-17-28)27-33(30,31)24-13-12-23(21-10-6-7-11-22(21)24)26-18-19-8-4-3-5-9-19/h3-13,20,26-27H,2,14-18H2,1H3
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| InChIKey |
UMUZDXSYISWZQG-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