General Information of the Compound
| Compound ID |
CP0557929
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| Compound Name |
2-[4-(4-methoxyphenyl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
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| Formula |
C21H25N3O
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| Molecular Weight |
335.451
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| Canonical SMILES |
COc1ccc(CCCCN2CCn3c(C2)nc2ccccc32)cc1
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| InChI |
InChI=1S/C21H25N3O/c1-25-18-11-9-17(10-12-18)6-4-5-13-23-14-15-24-20-8-3-2-7-19(20)22-21(24)16-23/h2-3,7-12H,4-6,13-16H2,1H3
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| InChIKey |
WEXJXWKVDSSFDO-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