General Information of the Compound
| Compound ID |
CP0445308
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| Compound Name |
7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C24H31N3O2
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| Molecular Weight |
393.531
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| Canonical SMILES |
Cc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
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| InChI |
InChI=1S/C24H31N3O2/c1-19-6-2-3-7-23(19)27-15-13-26(14-16-27)12-4-5-17-29-21-10-8-20-9-11-24(28)25-22(20)18-21/h2-3,6-8,10,18H,4-5,9,11-17H2,1H3,(H,25,28)
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| InChIKey |
UYNUCJCNGKHTNG-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