General Information of the Compound
| Compound ID |
CP0434160
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| Compound Name |
1-[5-nitro-2-(4-propoxyphenoxy)phenyl]sulfonyl-3-pentylurea
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| Structure |
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| Formula |
C21H27N3O7S
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| Molecular Weight |
465.528
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| Canonical SMILES |
CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(OCCC)cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H27N3O7S/c1-3-5-6-13-22-21(25)23-32(28,29)20-15-16(24(26)27)7-12-19(20)31-18-10-8-17(9-11-18)30-14-4-2/h7-12,15H,3-6,13-14H2,1-2H3,(H2,22,23,25)
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| InChIKey |
JVHVEYUJXYFGMB-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