General Information of the Compound
| Compound ID |
CP0577772
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| Compound Name |
US8987445, 173
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| Structure |
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| Formula |
C28H23F3N2O5S
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| Molecular Weight |
556.562
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc2c(CCC2(O)C(F)(F)F)c1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H23F3N2O5S/c1-17-23-5-3-2-4-21(23)15-32-25(17)33(39(37,38)22-9-7-19(8-10-22)26(34)35)16-18-6-11-24-20(14-18)12-13-27(24,36)28(29,30)31/h2-11,14-15,36H,12-13,16H2,1H3,(H,34,35)
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| InChIKey |
YCFOWCMRBDRNFD-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