General Information of the Compound
| Compound ID |
CP0155835
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| Compound Name |
US9035059, 14-18
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| Structure |
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| Formula |
C30H36FN3O4S
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| Molecular Weight |
553.7
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| Canonical SMILES |
CCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(F)c1
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| InChI |
InChI=1S/C30H36FN3O4S/c1-5-6-7-16-38-25-13-15-28(27(31)18-25)33-39(36,37)26-14-8-21-19-34(20-22(21)17-26)29(35)32-24-11-9-23(10-12-24)30(2,3)4/h8-15,17-18,33H,5-7,16,19-20H2,1-4H3,(H,32,35)
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| InChIKey |
HCLVCLSUVTYAOF-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