General Information of the Compound
| Compound ID |
CP0493343
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| Compound Name |
3-Amino-2-[4-[4-(3-hydroxyquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
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| Structure |
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| Formula |
C25H32N6O2
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| Molecular Weight |
448.571
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| Canonical SMILES |
Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3cc2O)nc2CCCCc2c1=O
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| InChI |
InChI=1S/C25H32N6O2/c26-31-23(27-21-10-4-2-8-19(21)25(31)33)11-5-6-12-29-13-15-30(16-14-29)24-22(32)17-18-7-1-3-9-20(18)28-24/h1,3,7,9,17,32H,2,4-6,8,10-16,26H2
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| InChIKey |
DQFJTXJCMDYWKL-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