General Information of the Compound
| Compound ID |
CP0435657
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| Compound Name |
2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C31H34F2N4O2
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| Molecular Weight |
532.635
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| Canonical SMILES |
Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
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| InChI |
InChI=1S/C31H34F2N4O2/c32-23-10-8-21(9-11-23)29-28-7-1-2-16-36(28)31(39)37(30(29)38)17-4-3-14-35-15-5-6-22(20-35)26-19-34-27-13-12-24(33)18-25(26)27/h8-13,18-19,22,34H,1-7,14-17,20H2
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| InChIKey |
SIBAMPHTYYJSCQ-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