General Information of the Compound
| Compound ID |
CP0530347
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| Compound Name |
2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]-4-(4-methoxyphenyl)pyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C32H34N4O3
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| Molecular Weight |
522.649
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| Canonical SMILES |
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
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| InChI |
InChI=1S/C32H34N4O3/c1-39-25-15-13-23(14-16-25)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-24(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-5,10-16,19,21,24,33H,6-9,17-18,20,22H2,1H3
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| InChIKey |
LMKOKEWRSZSLAW-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