General Information of the Compound
| Compound ID |
CP0518879
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| Compound Name |
US9163008, 53
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| Structure |
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| Formula |
C21H21FN4O6S
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| Molecular Weight |
476.486
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| Canonical SMILES |
CS(=O)(=O)N(CC(O)CO)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
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| InChI |
InChI=1S/C21H21FN4O6S/c1-33(30,31)26(11-15(28)12-27)19-10-18(20(23)29)24-21(25-19)13-2-6-16(7-3-13)32-17-8-4-14(22)5-9-17/h2-10,15,27-28H,11-12H2,1H3,(H2,23,29)
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| InChIKey |
IBMZUIVZLBHAMG-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