General Information of the Compound
| Compound ID |
CP0492428
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| Compound Name |
1-(4-nitrophenyl)-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
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| Structure |
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| Formula |
C22H21N5O3
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| Molecular Weight |
403.442
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
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| InChI |
InChI=1S/C22H21N5O3/c28-22(23-17-9-11-19(12-10-17)27(29)30)24-18-6-3-5-16(15-18)20-7-4-8-21(25-20)26-13-1-2-14-26/h3-12,15H,1-2,13-14H2,(H2,23,24,28)
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| InChIKey |
LAZKUKDLAXHLPY-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