General Information of the Compound
| Compound ID |
CP0486221
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| Compound Name |
2-[4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)phenoxy]-N-(3-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 |
Nc1c(C#N)c(-c2ccc(OCC(=O)NCCCO)cc2)c(C#N)c2nc3ccccc3n12
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| InChI |
InChI=1S/C24H20N6O3/c25-12-17-22(15-6-8-16(9-7-15)33-14-21(32)28-10-3-11-31)18(13-26)24-29-19-4-1-2-5-20(19)30(24)23(17)27/h1-2,4-9,31H,3,10-11,14,27H2,(H,28,32)
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| InChIKey |
ZLQMLGQESIRSOE-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