General Information of the Compound
| Compound ID |
CP0240958
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| Compound Name |
1-(2-methyl-5-propan-2-yl-phenyl)-3-(4-nitrophenyl)urea
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| Structure |
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| Formula |
C17H19N3O3
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| Molecular Weight |
313.357
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| Canonical SMILES |
CC(C)c1ccc(C)c(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
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| InChI |
InChI=1S/C17H19N3O3/c1-11(2)13-5-4-12(3)16(10-13)19-17(21)18-14-6-8-15(9-7-14)20(22)23/h4-11H,1-3H3,(H2,18,19,21)
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| InChIKey |
MWOGFXQEYSUZBC-UHFFFAOYSA-N
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| CAS |
6343-35-7
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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