General Information of the Compound
| Compound ID |
CP0526306
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| Compound Name |
3-Amino-5,6-dimethyl-2-[3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propylthio]-3H-thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C25H30N6OS2
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| Molecular Weight |
494.69
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| Canonical SMILES |
Cc1sc2nc(SCCCN3CCN(CC3)c3cc(C)c4ccccc4n3)n(N)c(=O)c2c1C
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| InChI |
InChI=1S/C25H30N6OS2/c1-16-15-21(27-20-8-5-4-7-19(16)20)30-12-10-29(11-13-30)9-6-14-33-25-28-23-22(24(32)31(25)26)17(2)18(3)34-23/h4-5,7-8,15H,6,9-14,26H2,1-3H3
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| InChIKey |
MYBMSIDXODXJBU-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