General Information of the Compound
| Compound ID |
CP0561074
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| Compound Name |
US9120756, 33
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| Structure |
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| Formula |
C25H30ClFN4O3S
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| Molecular Weight |
521.058
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(CNS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H30ClFN4O3S/c1-16(17-9-10-18(22(27)11-17)14-29-35(5,33)34)24(32)28-15-21-13-23(25(2,3)4)30-31(21)20-8-6-7-19(26)12-20/h6-13,16,29H,14-15H2,1-5H3,(H,28,32)
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| InChIKey |
WATHJNNAJVOWQL-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