General Information of the Compound
| Compound ID |
CP0326695
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| Compound Name |
US9120756, 13
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| Structure |
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| Formula |
C28H37FN4O3S
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| Molecular Weight |
528.694
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1ccc(cc1)C(C)(C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C28H37FN4O3S/c1-18(19-9-14-24(23(29)15-19)32-37(8,35)36)26(34)30-17-22-16-25(28(5,6)7)31-33(22)21-12-10-20(11-13-21)27(2,3)4/h9-16,18,32H,17H2,1-8H3,(H,30,34)
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| InChIKey |
IWTGCQCBARJVGY-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