General Information of the Compound
| Compound ID |
CP0407151
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| Compound Name |
US10047103, 139
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| Structure |
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| Formula |
C22H18F4N4O4S2
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| Molecular Weight |
542.536
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| Canonical SMILES |
CCC(F)(c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1)C(F)(F)F
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| InChI |
InChI=1S/C22H18F4N4O4S2/c1-4-21(23,22(24,25)26)18-27-11(10-35-18)9-33-15-5-12(31-2)6-16-13(15)7-17(34-16)14-8-30-19(28-14)36-20(29-30)32-3/h5-8,10H,4,9H2,1-3H3
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| InChIKey |
NCBXGBVDHSJXGK-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