General Information of the Compound
| Compound ID |
CP0527689
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| Compound Name |
3-Amino-7-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
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| Structure |
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| Formula |
C26H34N6O
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| Molecular Weight |
446.599
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| Canonical SMILES |
CC1CCc2c(C1)nc(CCCCN1CCN(CC1)c1ccc3ccccc3n1)n(N)c2=O
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| InChI |
InChI=1S/C26H34N6O/c1-19-9-11-21-23(18-19)29-25(32(27)26(21)33)8-4-5-13-30-14-16-31(17-15-30)24-12-10-20-6-2-3-7-22(20)28-24/h2-3,6-7,10,12,19H,4-5,8-9,11,13-18,27H2,1H3
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| InChIKey |
FCQFXDREOPQEAF-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