General Information of the Compound
| Compound ID |
CP0480094
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| Compound Name |
6-(4-Methylpiperazin-1-yl)-N4-(3-nitrobenzyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H21N7O2
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| Molecular Weight |
343.391
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| Canonical SMILES |
CN1CCN(CC1)c1cc(NCc2cccc(c2)[N+]([O-])=O)nc(N)n1
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| InChI |
InChI=1S/C16H21N7O2/c1-21-5-7-22(8-6-21)15-10-14(19-16(17)20-15)18-11-12-3-2-4-13(9-12)23(24)25/h2-4,9-10H,5-8,11H2,1H3,(H3,17,18,19,20)
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| InChIKey |
XMJISJMYQKSCRM-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