General Information of the Compound
| Compound ID |
CP0559802
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| Compound Name |
4,4-dimethyl-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 |
C19H28N4S
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| Molecular Weight |
344.528
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| Canonical SMILES |
Cn1c(SCCCN2CCC(C)(C)CC2)nnc1-c1ccccc1
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| InChI |
InChI=1S/C19H28N4S/c1-19(2)10-13-23(14-11-19)12-7-15-24-18-21-20-17(22(18)3)16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3
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| InChIKey |
KNJYSVPTKHXEGZ-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