General Information of the Compound
| Compound ID |
CP0459881
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| Compound Name |
4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)-N-(3-hydroxypropyl)benzamide
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| Structure |
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| Formula |
C23H18N6O2
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| Molecular Weight |
410.437
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| Canonical SMILES |
Nc1c(C#N)c(-c2ccc(cc2)C(=O)NCCCO)c(C#N)c2nc3ccccc3n12
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| InChI |
InChI=1S/C23H18N6O2/c24-12-16-20(14-6-8-15(9-7-14)23(31)27-10-3-11-30)17(13-25)22-28-18-4-1-2-5-19(18)29(22)21(16)26/h1-2,4-9,30H,3,10-11,26H2,(H,27,31)
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| InChIKey |
JPDJTXHBHKJTOV-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