General Information of the Compound
| Compound ID |
CP0475499
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| Compound Name |
3-Amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
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| Structure |
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| Formula |
C22H26N6O
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| Molecular Weight |
390.491
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| Canonical SMILES |
Nn1c(CN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
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| InChI |
InChI=1S/C22H26N6O/c23-28-21(25-19-8-4-2-6-17(19)22(28)29)15-26-11-13-27(14-12-26)20-10-9-16-5-1-3-7-18(16)24-20/h1,3,5,7,9-10H,2,4,6,8,11-15,23H2
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| InChIKey |
HGUUKRWUSHWXTH-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