General Information of the Compound
| Compound ID |
CP0098367
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| Compound Name |
US9340555, F5
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| Structure |
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| Formula |
C22H16FN3O3S
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| Molecular Weight |
421.453
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccnc3cc(sc23)C(O)=O)c1
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| InChI |
InChI=1S/C22H16FN3O3S/c1-12-2-7-16(23)17(10-12)26-22(29)25-14-5-3-13(4-6-14)15-8-9-24-18-11-19(21(27)28)30-20(15)18/h2-11H,1H3,(H,27,28)(H2,25,26,29)
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| InChIKey |
RURFZMWFAJCNHV-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