General Information of the Compound
| Compound ID |
CP0468241
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| Compound Name |
US9120756, 55
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| Structure |
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| Formula |
C26H30ClFN4O3S
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| Molecular Weight |
533.069
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(N2CCCS2(=O)=O)c(F)c1
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| InChI |
InChI=1S/C26H30ClFN4O3S/c1-17(18-9-10-23(22(28)13-18)31-11-6-12-36(31,34)35)25(33)29-16-21-15-24(26(2,3)4)30-32(21)20-8-5-7-19(27)14-20/h5,7-10,13-15,17H,6,11-12,16H2,1-4H3,(H,29,33)
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| InChIKey |
GEBGGCSWOMBQFJ-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