General Information of the Compound
| Compound ID |
CP0364124
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| Compound Name |
4-[3-[[4-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]morpholine
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| Structure |
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| Formula |
C20H22F3N5OS2
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| Molecular Weight |
469.558
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| Canonical SMILES |
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1nccs1
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| InChI |
InChI=1S/C20H22F3N5OS2/c1-27-17(18-24-7-12-30-18)25-26-19(27)31-11-2-8-28-9-10-29-16(13-28)14-3-5-15(6-4-14)20(21,22)23/h3-7,12,16H,2,8-11,13H2,1H3
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| InChIKey |
LSTIDGGQGHFYCB-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