General Information of the Compound
| Compound ID |
CP0435198
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| Compound Name |
4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C24H23N3O2
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| Molecular Weight |
385.467
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| Canonical SMILES |
COc1ccc2[nH]cc(C3=CCN(Cc4cc(=O)[nH]c5ccccc45)CC3)c2c1
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| InChI |
InChI=1S/C24H23N3O2/c1-29-18-6-7-22-20(13-18)21(14-25-22)16-8-10-27(11-9-16)15-17-12-24(28)26-23-5-3-2-4-19(17)23/h2-8,12-14,25H,9-11,15H2,1H3,(H,26,28)
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| InChIKey |
PQCUTSKJJPRTSW-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor