General Information of the Compound
| Compound ID |
CP0445632
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| Compound Name |
3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one
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| Structure |
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| Formula |
C25H29ClN4O
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| Molecular Weight |
436.987
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCCCCn2cnc(cc2=O)-c2ccccc2)CC1
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| InChI |
InChI=1S/C25H29ClN4O/c26-22-9-11-23(12-10-22)29-17-15-28(16-18-29)13-5-2-6-14-30-20-27-24(19-25(30)31)21-7-3-1-4-8-21/h1,3-4,7-12,19-20H,2,5-6,13-18H2
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| InChIKey |
VIBPMRINJNDJKI-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: PT00941, 5-hydroxytryptamine receptor 7