General Information of the Compound
| Compound ID |
CP0530822
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| Compound Name |
2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C22H26N4O
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| Molecular Weight |
362.477
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| Canonical SMILES |
O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2ccccc12
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| InChI |
InChI=1S/C22H26N4O/c27-22-19-10-4-5-11-20(19)23-21(24-22)12-6-7-13-25-14-16-26(17-15-25)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2,(H,23,24,27)
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| InChIKey |
SFSLXKQLJWRWRT-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