General Information of the Compound
| Compound ID |
CP0437300
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| Compound Name |
1,2,3,4-Tetrahydro-naphthalene-2-carboxylic acid [6-(2-nitro-benzenesulfonylamino)-hexyl]-amide
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| Structure |
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| Formula |
C23H29N3O5S
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| Molecular Weight |
459.568
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNC(=O)C1CCc2ccccc2C1
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| InChI |
InChI=1S/C23H29N3O5S/c27-23(20-14-13-18-9-3-4-10-19(18)17-20)24-15-7-1-2-8-16-25-32(30,31)22-12-6-5-11-21(22)26(28)29/h3-6,9-12,20,25H,1-2,7-8,13-17H2,(H,24,27)
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| InChIKey |
OCJWJVGLCJGMQU-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