General Information of the Compound
| Compound ID |
CP0428010
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| Compound Name |
2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydro-3Hquinazolin-4-one
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| Structure |
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| Formula |
C25H31N5O
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| Molecular Weight |
417.557
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| Canonical SMILES |
O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12
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| InChI |
InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)
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| InChIKey |
OHXKHPFEXVDLQZ-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: PT02227, 5-hydroxytryptamine receptor 3A