General Information of the Compound
| Compound ID |
CP0335474
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| Compound Name |
4-[3-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazol-1-yl]-1-pyrrolidin-1-ylbutan-1-one
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| Structure |
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| Formula |
C24H25F6N3O4S
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| Molecular Weight |
565.536
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| Canonical SMILES |
OC(c1ccc(CN2c3ccccc3N(CCCC(=O)N3CCCC3)S2(=O)=O)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H25F6N3O4S/c25-23(26,27)22(35,24(28,29)30)18-11-9-17(10-12-18)16-33-20-7-2-1-6-19(20)32(38(33,36)37)15-5-8-21(34)31-13-3-4-14-31/h1-2,6-7,9-12,35H,3-5,8,13-16H2
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| InChIKey |
GUNFSIFRYCYMTF-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