General Information of the Compound
| Compound ID |
CP0423146
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| Compound Name |
2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]-4-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C31H36N4O2
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| Molecular Weight |
496.655
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| Canonical SMILES |
O=c1c(-c2ccccc2)c2CCCCn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C31H36N4O2/c36-30-29(23-11-2-1-3-12-23)28-16-6-7-19-34(28)31(37)35(30)20-9-8-17-33-18-10-13-24(22-33)26-21-32-27-15-5-4-14-25(26)27/h1-5,11-12,14-15,21,24,32H,6-10,13,16-20,22H2
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| InChIKey |
DSIMOSUKRNEDEJ-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor