General Information of the Compound
| Compound ID |
CP0086896
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| Compound Name |
1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
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| Structure |
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| Formula |
C20H22ClN3O
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| Molecular Weight |
355.869
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| Canonical SMILES |
Clc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1
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| InChI |
InChI=1S/C20H22ClN3O/c21-19-7-3-4-16(12-19)13-24-11-10-23(20(24)25)9-8-22-14-17-5-1-2-6-18(17)15-22/h1-7,12H,8-11,13-15H2
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| InChIKey |
VASQQZAFIQDBHR-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