General Information of the Compound
| Compound ID |
CP0544984
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| Compound Name |
4-N-[(4-nitrophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
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| Structure |
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| Formula |
C14H12N6O2
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| Molecular Weight |
296.29
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| Canonical SMILES |
Nc1cc2ncnc(NCc3ccc(cc3)[N+]([O-])=O)c2cn1
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| InChI |
InChI=1S/C14H12N6O2/c15-13-5-12-11(7-16-13)14(19-8-18-12)17-6-9-1-3-10(4-2-9)20(21)22/h1-5,7-8H,6H2,(H2,15,16)(H,17,18,19)
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| InChIKey |
WHFXKHSZKZPINP-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