General Information of the Compound
| Compound ID |
CP0431039
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| Compound Name |
3-(1H-benzo[d]imidazol-2-yl)-1-butyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
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| Structure |
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| Formula |
C17H17N7O2
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| Molecular Weight |
351.37
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| Canonical SMILES |
CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C17H17N7O2/c1-3-4-9-24-15-12(16(25)23(2)17(26)21-15)20-14(22-24)13-18-10-7-5-6-8-11(10)19-13/h5-8H,3-4,9H2,1-2H3,(H,18,19)
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| InChIKey |
IOKNAOGAUUFHHA-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