General Information of the Compound
| Compound ID |
CP0367309
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| Compound Name |
US10568884, Cpd 6
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| Structure |
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| Formula |
C22H27F2N7O4S
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| Molecular Weight |
523.566
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| Canonical SMILES |
COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1c(F)ccc(NS(C)(=O)=O)c1F)C(C)C
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| InChI |
InChI=1S/C22H27F2N7O4S/c1-12(2)31-11-14(16-8-9-25-21(28-16)26-10-13(3)27-22(32)35-4)20(29-31)18-15(23)6-7-17(19(18)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
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| InChIKey |
MKCVFAPLFKXTKT-ZDUSSCGKSA-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