General Information of the Compound
| Compound ID |
CP0498092
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| Compound Name |
1-naphthalen-1-yl-3-[4-[(2-nitrophenyl)sulfonylamino]butyl]urea
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| Structure |
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| Formula |
C21H22N4O5S
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| Molecular Weight |
442.497
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCNC(=O)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C21H22N4O5S/c26-21(24-18-11-7-9-16-8-1-2-10-17(16)18)22-14-5-6-15-23-31(29,30)20-13-4-3-12-19(20)25(27)28/h1-4,7-13,23H,5-6,14-15H2,(H2,22,24,26)
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| InChIKey |
HSBKAXRQTARVMQ-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