General Information of the Compound
| Compound ID |
CP0042187
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| Compound Name |
4-methyl-5-[4-methyl-5-[3-[1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]propylsulfanyl]-1,2,4-triazol-3-yl]-1,3-oxazole
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| Structure |
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| Formula |
C23H26F3N5OS
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| Molecular Weight |
477.556
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C
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| InChI |
InChI=1S/C23H26F3N5OS/c1-15-19(32-14-27-15)20-28-29-21(30(20)2)33-10-4-8-31-9-7-18-12-22(18,13-31)16-5-3-6-17(11-16)23(24,25)26/h3,5-6,11,14,18H,4,7-10,12-13H2,1-2H3
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| InChIKey |
XSNMDMSHDAOPPM-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