General Information of the Compound
| Compound ID |
CP0454496
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| Compound Name |
3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3Hpyrido[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H25N7OS
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| Molecular Weight |
447.568
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| Canonical SMILES |
Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cccnc2c1=O
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| InChI |
InChI=1S/C23H25N7OS/c24-30-22(31)21-19(7-3-10-25-21)27-23(30)32-16-4-11-28-12-14-29(15-13-28)20-9-8-17-5-1-2-6-18(17)26-20/h1-3,5-10H,4,11-16,24H2
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| InChIKey |
SPBSBKPLXWUEGQ-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