General Information of the Compound
| Compound ID |
CP0494121
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| Compound Name |
2-[4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)phenoxy]-N-(2,3-dihydroxypropyl)acetamide
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| Structure |
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| Formula |
C24H20N6O4
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| Molecular Weight |
456.462
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| Canonical SMILES |
Nc1c(C#N)c(-c2ccc(OCC(=O)NCC(O)CO)cc2)c(C#N)c2nc3ccccc3n12
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| InChI |
InChI=1S/C24H20N6O4/c25-9-17-22(14-5-7-16(8-6-14)34-13-21(33)28-11-15(32)12-31)18(10-26)24-29-19-3-1-2-4-20(19)30(24)23(17)27/h1-8,15,31-32H,11-13,27H2,(H,28,33)
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| InChIKey |
KVHFIARVFCFXCV-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