General Information of the Compound
| Compound ID |
CP0459429
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| Compound Name |
4-(2-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C31H35ClN4O2
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| Molecular Weight |
531.1
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| Canonical SMILES |
Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
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| InChI |
InChI=1S/C31H35ClN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2
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| InChIKey |
GXSSUFRMGVMARC-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