General Information of the Compound
| Compound ID |
CP0943507
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| Compound Name |
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-5-oxo-pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C26H24F6N2O4S
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| Molecular Weight |
574.543
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| Canonical SMILES |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C2=CCS(=O)(=O)CC2)CC1=O
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| InChI |
InChI=1S/C26H24F6N2O4S/c1-15-4-3-5-16(2)22(15)34-14-24(13-21(34)35,17-6-8-39(37,38)9-7-17)23(36)33-20-11-18(25(27,28)29)10-19(12-20)26(30,31)32/h3-6,10-12H,7-9,13-14H2,1-2H3,(H,33,36)
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| InChIKey |
GSSFYRNBNMKNFN-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