General Information of the Compound
| Compound ID |
CP0472845
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| Compound Name |
1-[3-(4-benzylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one
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| Structure |
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| Formula |
C23H29N3O
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| Molecular Weight |
363.505
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| Canonical SMILES |
O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H29N3O/c27-23-12-11-21-9-4-5-10-22(21)26(23)14-6-13-24-15-17-25(18-16-24)19-20-7-2-1-3-8-20/h1-5,7-10H,6,11-19H2
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| InChIKey |
RYRTVXCXZPFWGO-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
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5