General Information of the Compound
| Compound ID |
CP0435617
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| Compound Name |
4-{4-[(3-phenyl-propylamino)-methyl]-naphthalene-1-sulfonylamino}-piperidine-1-carboxylic acid ethyl ester
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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 |
CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NCCCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C27H33N3O4S/c1-2-34-27(31)30-19-16-22(17-20-30)29-35(32,33)26-15-14-25(23-12-6-7-13-24(23)26)28-18-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-15,22,28-29H,2,8,11,16-20H2,1H3
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| InChIKey |
ZVACMLUWMNXCQQ-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