General Information of the Compound
| Compound ID |
CP0524699
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| Compound Name |
2-[4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)phenoxy]-N-(2-hydroxypropyl)acetamide
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| Structure |
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| Formula |
C24H20N6O3
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| Molecular Weight |
440.463
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| Canonical SMILES |
CC(O)CNC(=O)COc1ccc(cc1)-c1c(C#N)c(N)n2c3ccccc3nc2c1C#N
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| InChI |
InChI=1S/C24H20N6O3/c1-14(31)12-28-21(32)13-33-16-8-6-15(7-9-16)22-17(10-25)23(27)30-20-5-3-2-4-19(20)29-24(30)18(22)11-26/h2-9,14,31H,12-13,27H2,1H3,(H,28,32)
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| InChIKey |
LJVMBCSXWASBGC-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