General Information of the Compound
| Compound ID |
CP0568818
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| Compound Name |
7-[4-[4-(pyridine-2-carbonyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C23H28N4O3
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| Molecular Weight |
408.502
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| Canonical SMILES |
O=C(N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1)c1ccccn1
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| InChI |
InChI=1S/C23H28N4O3/c28-22-9-7-18-6-8-19(17-21(18)25-22)30-16-4-3-11-26-12-14-27(15-13-26)23(29)20-5-1-2-10-24-20/h1-2,5-6,8,10,17H,3-4,7,9,11-16H2,(H,25,28)
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| InChIKey |
NKPZUJWHJYTWEE-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: PT01005, D(2) dopamine receptor