General Information of the Compound
| Compound ID |
CP0459430
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| Compound Name |
2-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C33H40N4O4
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| Molecular Weight |
556.707
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| Canonical SMILES |
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O
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| InChI |
InChI=1S/C33H40N4O4/c1-40-25-12-10-23(11-13-25)31-30-9-3-4-18-36(30)33(39)37(32(31)38)19-6-5-16-35-17-7-8-24(22-35)28-21-34-29-15-14-26(41-2)20-27(28)29/h10-15,20-21,24,34H,3-9,16-19,22H2,1-2H3
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| InChIKey |
FMIGXIISTXPFJX-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