General Information of the Compound
| Compound ID |
CP0576613
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| Compound Name |
2-[4-(4-chloro-2-fluorophenyl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
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| Formula |
C20H21ClFN3
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| Molecular Weight |
357.86
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| Canonical SMILES |
Fc1cc(Cl)ccc1CCCCN1CCn2c(C1)nc1ccccc21
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| InChI |
InChI=1S/C20H21ClFN3/c21-16-9-8-15(17(22)13-16)5-3-4-10-24-11-12-25-19-7-2-1-6-18(19)23-20(25)14-24/h1-2,6-9,13H,3-5,10-12,14H2
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| InChIKey |
MFEXNQHSAOMLEC-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