General Information of the Compound
| Compound ID |
CP0462144
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| Compound Name |
3-[5-(4-benzylpiperazin-1-yl)pentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C24H32N4OS
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| Molecular Weight |
424.614
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| Canonical SMILES |
Cc1sc2ncn(CCCCCN3CCN(Cc4ccccc4)CC3)c(=O)c2c1C
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| InChI |
InChI=1S/C24H32N4OS/c1-19-20(2)30-23-22(19)24(29)28(18-25-23)12-8-4-7-11-26-13-15-27(16-14-26)17-21-9-5-3-6-10-21/h3,5-6,9-10,18H,4,7-8,11-17H2,1-2H3
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| InChIKey |
TUJLDIUOIWSTPH-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: PT00941, 5-hydroxytryptamine receptor 7