General Information of the Compound
| Compound ID |
CP0472960
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| Compound Name |
(4-methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C19H23N3O3
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| Molecular Weight |
341.411
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N1CCN(CCOc2cccnc2)CC1
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| InChI |
InChI=1S/C19H23N3O3/c1-24-17-6-4-16(5-7-17)19(23)22-11-9-21(10-12-22)13-14-25-18-3-2-8-20-15-18/h2-8,15H,9-14H2,1H3
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| InChIKey |
VOKCKVQKMXVJNW-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