General Information of the Compound
| Compound ID |
CP0570723
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| Compound Name |
4-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)butyl]benzonitrile
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| Formula |
C21H22N4
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| Molecular Weight |
330.435
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| Canonical SMILES |
N#Cc1ccc(CCCCN2CCn3c(C2)nc2ccccc32)cc1
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| InChI |
InChI=1S/C21H22N4/c22-15-18-10-8-17(9-11-18)5-3-4-12-24-13-14-25-20-7-2-1-6-19(20)23-21(25)16-24/h1-2,6-11H,3-5,12-14,16H2
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| InChIKey |
NACMGEKDQPCNPA-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