General Information of the Compound
| Compound ID |
CP0760707
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| Compound Name |
5-(5-(3-(1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]hexan-3-yl)propylthio)-4-methyl-4H-1,2,4-triazol-3-yl)-4-methyloxazole hydrochloride
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| Structure |
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| Formula |
C22H24ClF4N5OS
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| Molecular Weight |
517.98
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3cc(F)cc(C(F)(F)F)c3)C2)n1C.Cl
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| InChI |
InChI=1S/C22H23F4N5OS.ClH/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-5-3-4-31-10-16-9-21(16,11-31)14-6-15(22(24,25)26)8-17(23)7-14;/h6-8,12,16H,3-5,9-11H2,1-2H3;1H
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| InChIKey |
SRLBIQJDNDNSNU-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