General Information of the Compound
| Compound ID |
CP0528079
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| Compound Name |
5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)benzenamine
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| Structure |
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| Formula |
C17H21N5O2
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| Molecular Weight |
327.388
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(c(NCc2cccnc2)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H21N5O2/c1-20-7-9-21(10-8-20)15-4-5-17(22(23)24)16(11-15)19-13-14-3-2-6-18-12-14/h2-6,11-12,19H,7-10,13H2,1H3
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| InChIKey |
UGIONADHPAWLPG-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