General Information of the Compound
| Compound ID |
CP0077065
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| Compound Name |
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]-1,4-diazepane
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| Structure |
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| Formula |
C21H26ClFN2
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| Molecular Weight |
360.904
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| Canonical SMILES |
Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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| InChIKey |
FVMDOYQNOWAVCQ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor