General Information of the Compound
| Compound ID |
CP0414719
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| Compound Name |
5-[5-[3-[1-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
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| Structure |
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| Formula |
C22H27FN6OS
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| Molecular Weight |
442.564
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2cccc(F)c2)n1C
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| InChI |
InChI=1S/C22H27FN6OS/c1-15-20(30-14-24-15)21-25-26-22(27(21)2)31-10-4-8-28-12-16-7-9-29(19(16)13-28)18-6-3-5-17(23)11-18/h3,5-6,11,14,16,19H,4,7-10,12-13H2,1-2H3
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| InChIKey |
MYIVBWHBNPYKLU-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2