General Information of the Compound
| Compound ID |
CP0552894
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| Compound Name |
2-[4-(2-methylphenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
Cc1ccccc1OCCCCN1CCn2c(nc3ccccc23)C1=O
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| InChI |
InChI=1S/C21H23N3O2/c1-16-8-2-5-11-19(16)26-15-7-6-12-23-13-14-24-18-10-4-3-9-17(18)22-20(24)21(23)25/h2-5,8-11H,6-7,12-15H2,1H3
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| InChIKey |
URYFHWRAKNJWAZ-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