General Information of the Compound
| Compound ID |
CP0471904
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| Compound Name |
7-[4-[4-[1-[(4-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 |
Fc1ccc(Cn2ccc3c(cccc23)N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)cc1
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| InChI |
InChI=1S/C32H35FN4O2/c33-26-10-6-24(7-11-26)23-37-16-14-28-30(4-3-5-31(28)37)36-19-17-35(18-20-36)15-1-2-21-39-27-12-8-25-9-13-32(38)34-29(25)22-27/h3-8,10-12,14,16,22H,1-2,9,13,15,17-21,23H2,(H,34,38)
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| InChIKey |
CCMLDGCVAGTXJF-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