General Information of the Compound
| Compound ID |
CP0260687
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| Compound Name |
7-[4-[4-[1-[(3-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C32H35FN4O2
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| Molecular Weight |
526.656
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| Canonical SMILES |
Fc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1
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| InChI |
InChI=1S/C32H35FN4O2/c33-26-6-3-5-24(21-26)23-37-15-13-28-30(7-4-8-31(28)37)36-18-16-35(17-19-36)14-1-2-20-39-27-11-9-25-10-12-32(38)34-29(25)22-27/h3-9,11,13,15,21-22H,1-2,10,12,14,16-20,23H2,(H,34,38)
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| InChIKey |
RUARTZMULZTFHQ-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor