General Information of the Compound
| Compound ID |
CP0458982
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| Compound Name |
2-[[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
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| Structure |
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| Formula |
C19H20ClFN4
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| Molecular Weight |
358.848
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| Canonical SMILES |
Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2F)nc2ccccc12
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| InChI |
InChI=1S/C19H20ClFN4/c1-23-18-5-3-2-4-16(18)22-19(23)13-24-8-10-25(11-9-24)17-7-6-14(20)12-15(17)21/h2-7,12H,8-11,13H2,1H3
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| InChIKey |
HBKFRQKTXQIBDE-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
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT01748, Metabotropic glutamate receptor 2