General Information of the Compound
| Compound ID |
CP0375779
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| Compound Name |
N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
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| Structure |
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| Formula |
C23H29N5OS
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| Molecular Weight |
423.586
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| Canonical SMILES |
CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
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| InChI |
InChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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| InChIKey |
DWEHMLBGRQZUJA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Protein ID: PT01161, D(4) dopamine receptor