General Information of the Compound
| Compound ID |
CP0424080
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| Compound Name |
2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C21H24ClFN2
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| Molecular Weight |
358.888
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| Canonical SMILES |
Fc1cc(Cl)ccc1CN1CCC(CC1)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H24ClFN2/c22-19-6-5-18(21(23)13-19)14-24-10-8-20(9-11-24)25-12-7-16-3-1-2-4-17(16)15-25/h1-6,13,20H,7-12,14-15H2
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| InChIKey |
WDJOREDQQVTCKC-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