General Information of the Compound
| Compound ID |
CP0451658
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| Compound Name |
1-(5-nitro-2-(o-tolyloxy)phenylsulfonyl)-3-pentylurea
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| Structure |
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| Formula |
C19H23N3O6S
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| Molecular Weight |
421.475
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| Canonical SMILES |
CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccccc1C)[N+]([O-])=O
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| InChI |
InChI=1S/C19H23N3O6S/c1-3-4-7-12-20-19(23)21-29(26,27)18-13-15(22(24)25)10-11-17(18)28-16-9-6-5-8-14(16)2/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H2,20,21,23)
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| InChIKey |
XZAIEUSFPGJCSN-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