General Information of the Compound
| Compound ID |
CP0432446
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| Compound Name |
1-naphthalen-1-yl-3-[6-[(2-nitrophenyl)sulfonylamino]hexyl]urea
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| Structure |
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| Formula |
C23H26N4O5S
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| Molecular Weight |
470.551
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNC(=O)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C23H26N4O5S/c28-23(26-20-13-9-11-18-10-3-4-12-19(18)20)24-16-7-1-2-8-17-25-33(31,32)22-15-6-5-14-21(22)27(29)30/h3-6,9-15,25H,1-2,7-8,16-17H2,(H2,24,26,28)
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| InChIKey |
QLOPXXURXBHVMH-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