General Information of the Compound
| Compound ID |
CP0324091
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| Compound Name |
1-[4-[4-methyl-5-[3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propylsulfanyl]-1,2,4-triazol-3-yl]phenyl]ethanone
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| Structure |
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| Formula |
C25H27F3N4O2S
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| Molecular Weight |
504.578
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| Canonical SMILES |
CC(=O)c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
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| InChI |
InChI=1S/C25H27F3N4O2S/c1-17(33)18-4-6-20(7-5-18)23-29-30-24(31(23)2)35-15-3-12-32-13-14-34-22(16-32)19-8-10-21(11-9-19)25(26,27)28/h4-11,22H,3,12-16H2,1-2H3
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| InChIKey |
YSOFLAUQLXWHBW-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