General Information of the Compound
| Compound ID |
CP0413623
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| Compound Name |
3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H29ClN4OS
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| Molecular Weight |
445.032
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| Canonical SMILES |
Cc1sc2ncn(CCCCCN3CCN(CC3)c3cccc(Cl)c3)c(=O)c2c1C
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| InChI |
InChI=1S/C23H29ClN4OS/c1-17-18(2)30-22-21(17)23(29)28(16-25-22)10-5-3-4-9-26-11-13-27(14-12-26)20-8-6-7-19(24)15-20/h6-8,15-16H,3-5,9-14H2,1-2H3
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| InChIKey |
FIFZIUOQMILWHZ-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