General Information of the Compound
| Compound ID |
CP0518347
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| Compound Name |
US8987445, 217
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| Structure |
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| Formula |
C27H21F3N2O5S
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| Molecular Weight |
542.535
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc2c(cccc2cn1)C1CC1
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| InChI |
InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-10-4-17(5-11-21)16-32(38(35,36)22-12-8-19(9-13-22)26(33)34)25-14-24-20(15-31-25)2-1-3-23(24)18-6-7-18/h1-5,8-15,18H,6-7,16H2,(H,33,34)
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| InChIKey |
IMCOQTPKUMSQPD-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