General Information of the Compound
| Compound ID |
CP0562951
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| Compound Name |
1-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperidine
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| Structure |
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| Formula |
C17H24N4S
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| Molecular Weight |
316.474
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| Canonical SMILES |
Cn1c(SCCCN2CCCCC2)nnc1-c1ccccc1
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| InChI |
InChI=1S/C17H24N4S/c1-20-16(15-9-4-2-5-10-15)18-19-17(20)22-14-8-13-21-11-6-3-7-12-21/h2,4-5,9-10H,3,6-8,11-14H2,1H3
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| InChIKey |
WIXHPSPVTDJXJR-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