General Information of the Compound
| Compound ID |
CP0444017
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| Compound Name |
2-[4-(3-chloro-4-fluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
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| Formula |
C20H19ClFN3O2
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| Molecular Weight |
387.842
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| Canonical SMILES |
Fc1ccc(OCCCCN2CCn3c(nc4ccccc34)C2=O)cc1Cl
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| InChI |
InChI=1S/C20H19ClFN3O2/c21-15-13-14(7-8-16(15)22)27-12-4-3-9-24-10-11-25-18-6-2-1-5-17(18)23-19(25)20(24)26/h1-2,5-8,13H,3-4,9-12H2
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| InChIKey |
GKTWOMJBPXLGCV-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