General Information of the Compound
| Compound ID |
CP0487336
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| Compound Name |
2-[4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)phenoxy]-N-(2-pyridin-4-ylethyl)acetamide
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| Structure |
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| Formula |
C28H21N7O2
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| Molecular Weight |
487.523
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| Canonical SMILES |
Nc1c(C#N)c(-c2ccc(OCC(=O)NCCc3ccncc3)cc2)c(C#N)c2nc3ccccc3n12
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| InChI |
InChI=1S/C28H21N7O2/c29-15-21-26(22(16-30)28-34-23-3-1-2-4-24(23)35(28)27(21)31)19-5-7-20(8-6-19)37-17-25(36)33-14-11-18-9-12-32-13-10-18/h1-10,12-13H,11,14,17,31H2,(H,33,36)
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| InChIKey |
VBLXKVDMFMFFHN-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