General Information of the Compound
| Compound ID |
CP0461098
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| Compound Name |
4-(3-Nitro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
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| Structure |
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| Formula |
C19H23N5O3
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| Molecular Weight |
369.425
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C19H23N5O3/c1-14(2)15-5-7-16(8-6-15)21-19(25)23-12-10-22(11-13-23)18-17(24(26)27)4-3-9-20-18/h3-9,14H,10-13H2,1-2H3,(H,21,25)
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| InChIKey |
HXJNVJWDEJXSDU-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