General Information of the Compound
| Compound ID |
CP0391059
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| Compound Name |
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C24H25ClN4OS
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| Molecular Weight |
453.011
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCCc2nc3c4ccccc4sc3c(=O)[nH]2)CC1
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| InChI |
InChI=1S/C24H25ClN4OS/c25-17-6-5-7-18(16-17)29-14-12-28(13-15-29)11-4-3-10-21-26-22-19-8-1-2-9-20(19)31-23(22)24(30)27-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,27,30)
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| InChIKey |
QSNQCULZKUIUFT-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