General Information of the Compound
| Compound ID |
CP0543036
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| Compound Name |
US10568884, Cpd 11
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| Structure |
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| Formula |
C21H25ClFN7O4S
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| Molecular Weight |
525.994
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| Canonical SMILES |
CCn1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NC[C@H](C)NC(=O)OC)n1
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| InChI |
InChI=1S/C21H25ClFN7O4S/c1-5-30-11-15(16-6-7-24-20(27-16)25-10-12(2)26-21(31)34-3)19(28-30)14-8-13(22)9-17(18(14)23)29-35(4,32)33/h6-9,11-12,29H,5,10H2,1-4H3,(H,26,31)(H,24,25,27)/t12-/m0/s1
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| InChIKey |
XVXYXUQCGWHPKG-LBPRGKRZSA-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