General Information of the Compound
| Compound ID |
CP0308489
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| Compound Name |
4-methyl-5-[4-methyl-5-[3-[1-[2-(trifluoromethyl)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 |
C22H24F3N5OS
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| Molecular Weight |
463.529
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccccc2C(F)(F)F)n1C
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| InChI |
InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-9-5-8-30-11-15-10-21(15,12-30)16-6-3-4-7-17(16)22(23,24)25/h3-4,6-7,13,15H,5,8-12H2,1-2H3
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| InChIKey |
KYPWROFHQUYOCS-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