General Information of the Compound
| Compound ID |
CP0535496
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| Compound Name |
7-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C26H34ClN3O3
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| Molecular Weight |
472.029
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| Canonical SMILES |
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
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| InChI |
InChI=1S/C26H34ClN3O3/c1-3-19-16-22(27)26(32-2)24(17-19)30-13-11-29(12-14-30)10-4-5-15-33-21-8-6-20-7-9-25(31)28-23(20)18-21/h6,8,16-18H,3-5,7,9-15H2,1-2H3,(H,28,31)
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| InChIKey |
WNQLAMRYPGPZKN-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