General Information of the Compound
| Compound ID |
CP0849016
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| Compound Name |
1-(2-(azepan-1-yl)ethyl)-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one
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| Structure |
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| Formula |
C17H23ClFN3O
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| Molecular Weight |
339.842
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| Canonical SMILES |
O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C17H23ClFN3O/c18-15-13-14(5-6-16(15)19)22-12-11-21(17(22)23)10-9-20-7-3-1-2-4-8-20/h5-6,13H,1-4,7-12H2
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| InChIKey |
RITZJRAUYHPYLW-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor