General Information of the Compound
| Compound ID |
CP0215823
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| Compound Name |
US10568884, Cpd 4
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| Structure |
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| Formula |
C22H28FN7O4S
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| Molecular Weight |
505.576
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| Canonical SMILES |
COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cccc(NS(C)(=O)=O)c1F)C(C)C
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| InChI |
InChI=1S/C22H28FN7O4S/c1-13(2)30-12-16(17-9-10-24-21(27-17)25-11-14(3)26-22(31)34-4)20(28-30)15-7-6-8-18(19(15)23)29-35(5,32)33/h6-10,12-14,29H,11H2,1-5H3,(H,26,31)(H,24,25,27)/t14-/m0/s1
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| InChIKey |
FCSQNBKYSFKSHZ-AWEZNQCLSA-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