General Information of the Compound
| Compound ID |
CP0141496
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| Compound Name |
1-[3-[[3-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazol-1-yl]methyl]piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C25H27F6N3O4S
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| Molecular Weight |
579.563
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| Canonical SMILES |
CCC(=O)N1CCCC(CN2c3ccccc3N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)S2(=O)=O)C1
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| InChI |
InChI=1S/C25H27F6N3O4S/c1-2-22(35)32-13-5-6-18(14-32)16-34-21-8-4-3-7-20(21)33(39(34,37)38)15-17-9-11-19(12-10-17)23(36,24(26,27)28)25(29,30)31/h3-4,7-12,18,36H,2,5-6,13-16H2,1H3
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| InChIKey |
DDDHADFRCAXJBQ-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