General Information of the Compound
| Compound ID |
CP0433461
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| Compound Name |
2-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C23H27ClN4O
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| Molecular Weight |
410.949
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCCCCc2nc3ccccc3c(=O)[nH]2)CC1
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| InChI |
InChI=1S/C23H27ClN4O/c24-18-9-11-19(12-10-18)28-16-14-27(15-17-28)13-5-1-2-8-22-25-21-7-4-3-6-20(21)23(29)26-22/h3-4,6-7,9-12H,1-2,5,8,13-17H2,(H,25,26,29)
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| InChIKey |
WXRPQSSOZNAGNZ-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