General Information of the Compound
| Compound ID |
CP0451996
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| Compound Name |
1-amino-3-[4-(2-hydroxyethoxy)phenyl]pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
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| Structure |
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| Formula |
C21H15N5O2
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| Molecular Weight |
369.384
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| Canonical SMILES |
Nc1c(C#N)c(-c2ccc(OCCO)cc2)c(C#N)c2nc3ccccc3n12
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| InChI |
InChI=1S/C21H15N5O2/c22-11-15-19(13-5-7-14(8-6-13)28-10-9-27)16(12-23)21-25-17-3-1-2-4-18(17)26(21)20(15)24/h1-8,27H,9-10,24H2
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| InChIKey |
BZAQXFZUPDXHMH-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