General Information of the Compound
| Compound ID |
CP0225967
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| Compound Name |
4-methyl-5-[4-methyl-5-[3-(1-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)propylsulfanyl]-1,2,4-triazol-3-yl]-1,3-oxazole
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| Structure |
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| Formula |
C21H25N5OS
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| Molecular Weight |
395.532
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccccc2)n1C
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| InChI |
InChI=1S/C21H25N5OS/c1-15-18(27-14-22-15)19-23-24-20(25(19)2)28-10-6-9-26-12-17-11-21(17,13-26)16-7-4-3-5-8-16/h3-5,7-8,14,17H,6,9-13H2,1-2H3
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| InChIKey |
YYLVZNFHPHPLKB-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