General Information of the Compound
| Compound ID |
CP0266802
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| Compound Name |
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
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| Structure |
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| Formula |
C21H22F3N3O
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| Molecular Weight |
389.421
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| Canonical SMILES |
FC(F)(F)c1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1
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| InChI |
InChI=1S/C21H22F3N3O/c22-21(23,24)19-7-3-4-16(12-19)13-27-11-10-26(20(27)28)9-8-25-14-17-5-1-2-6-18(17)15-25/h1-7,12H,8-11,13-15H2
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| InChIKey |
PHZPOMMTJKRHHB-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