General Information of the Compound
| Compound ID |
CP0462803
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| Compound Name |
US10047103, 282
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| Structure |
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| Formula |
C26H21FN6O3S
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| Molecular Weight |
516.558
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| Canonical SMILES |
COc1cc(OCc2csc(Nc3ccc(F)c(C)n3)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C26H21FN6O3S/c1-14-4-7-25-30-20(11-33(25)32-14)23-10-18-21(8-17(34-3)9-22(18)36-23)35-12-16-13-37-26(29-16)31-24-6-5-19(27)15(2)28-24/h4-11,13H,12H2,1-3H3,(H,28,29,31)
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| InChIKey |
VCTOSRKGQZCPLJ-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