General Information of the Compound
| Compound ID |
CP0393898
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| Compound Name |
7-[4-[4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C25H31N3O5
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| Molecular Weight |
453.539
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| Canonical SMILES |
Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCCOc12
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| InChI |
InChI=1S/C25H31N3O5/c29-22-7-6-21(24-25(22)33-16-15-32-24)28-12-10-27(11-13-28)9-1-2-14-31-19-5-3-18-4-8-23(30)26-20(18)17-19/h3,5-7,17,29H,1-2,4,8-16H2,(H,26,30)
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| InChIKey |
VAGLBALSMGUHAJ-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor