General Information of the Compound
| Compound ID |
CP0846545
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| Compound Name |
1-(2-(azepan-1-yl)ethyl)-3-(3-methoxyphenyl)imidazolidin-2-one
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| Structure |
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| Formula |
C18H27N3O2
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| Molecular Weight |
317.433
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| Canonical SMILES |
COc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1
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| InChI |
InChI=1S/C18H27N3O2/c1-23-17-8-6-7-16(15-17)21-14-13-20(18(21)22)12-11-19-9-4-2-3-5-10-19/h6-8,15H,2-5,9-14H2,1H3
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| InChIKey |
ULMBXLAVXIEGRS-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