General Information of the Compound
| Compound ID |
CP0083400
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| Compound Name |
CHEMBL331089
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| Formula |
C24H22F6N2O5S
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| Molecular Weight |
564.504
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C24H22F6N2O5S/c25-23(26,27)15-9-16(24(28,29)30)11-20(10-15)38(35,36)31-22(34)32-17-6-7-18(32)13-19(12-17)37-21(33)8-14-4-2-1-3-5-14/h1-5,9-11,17-19H,6-8,12-13H2,(H,31,34)/t17-,18+,19+
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| InChIKey |
PPEKRJZEOBNGOP-BWTSREIZSA-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