General Information of the Compound
| Compound ID |
CP0140535
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| Compound Name |
US10568884, Cpd 28
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| Structure |
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| Formula |
C21H27ClFN7O2S
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| Molecular Weight |
496.012
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| Canonical SMILES |
CC(C)n1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NCCN(C)C)n1
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| InChI |
InChI=1S/C21H27ClFN7O2S/c1-13(2)30-12-16(17-6-7-24-21(26-17)25-8-9-29(3)4)20(27-30)15-10-14(22)11-18(19(15)23)28-33(5,31)32/h6-7,10-13,28H,8-9H2,1-5H3,(H,24,25,26)
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| InChIKey |
XHBPQUQPPQNMMJ-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