General Information of the Compound
| Compound ID |
CP0283518
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| Compound Name |
2,4-dimethyl-5-[4-methyl-5-[3-[1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[5.1.0]octan-4-yl]propylsulfanyl]-1,2,4-triazol-3-yl]-1,3-oxazole
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| Structure |
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| Formula |
C25H30F3N5OS
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| Molecular Weight |
505.61
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| Canonical SMILES |
Cc1nc(C)c(o1)-c1nnc(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)n1C
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| InChI |
InChI=1S/C25H30F3N5OS/c1-16-21(34-17(2)29-16)22-30-31-23(32(22)3)35-14-4-11-33-12-9-20-15-24(20,10-13-33)18-5-7-19(8-6-18)25(26,27)28/h5-8,20H,4,9-15H2,1-3H3
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| InChIKey |
RLDHKTIILVTVIL-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