General Information of the Compound
| Compound ID |
CP0086894
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| Compound Name |
1-(1-benzofuran-5-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
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| Structure |
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| Formula |
C21H21N3O2
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| Molecular Weight |
347.418
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| Canonical SMILES |
O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1
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| InChI |
InChI=1S/C21H21N3O2/c25-21-23(9-8-22-14-17-3-1-2-4-18(17)15-22)10-11-24(21)19-5-6-20-16(13-19)7-12-26-20/h1-7,12-13H,8-11,14-15H2
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| InChIKey |
HHTPKGOFGTYZBP-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