General Information of the Compound
| Compound ID |
CP0120218
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| Compound Name |
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinazolin-4-one
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| Structure |
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| Formula |
C22H25ClN4O
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| Molecular Weight |
396.922
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C22H25ClN4O/c23-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-17-24-21-9-2-1-8-20(21)22(27)28/h1-2,5-9,16-17H,3-4,10-15H2
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| InChIKey |
XGTCJFHULKEJKG-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