General Information of the Compound
| Compound ID |
CP0266804
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| Compound Name |
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one
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| Structure |
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| Formula |
C22H24F3N3O
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| Molecular Weight |
403.448
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| Canonical SMILES |
CC(N1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H24F3N3O/c1-16(17-7-4-8-20(13-17)22(23,24)25)28-12-11-27(21(28)29)10-9-26-14-18-5-2-3-6-19(18)15-26/h2-8,13,16H,9-12,14-15H2,1H3
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| InChIKey |
GFLAXMWGVQJOMI-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