General Information of the Compound
| Compound ID |
CP0410047
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| Compound Name |
2-N-(3-aminopropyl)-4-N-cyclohexyl-5-nitropyrimidine-2,4,6-triamine
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| Structure |
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| Formula |
C13H23N7O2
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| Molecular Weight |
309.374
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| Canonical SMILES |
NCCCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O
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| InChI |
InChI=1S/C13H23N7O2/c14-7-4-8-16-13-18-11(15)10(20(21)22)12(19-13)17-9-5-2-1-3-6-9/h9H,1-8,14H2,(H4,15,16,17,18,19)
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| InChIKey |
FKEMKIOGVDPJJH-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3