General Information of the Compound
| Compound ID |
CP0560935
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| Compound Name |
US9035059, 18-6
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| Structure |
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| Formula |
C31H38FN3O4S
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| Molecular Weight |
567.727
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| Canonical SMILES |
CCCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(F)c1
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| InChI |
InChI=1S/C31H38FN3O4S/c1-5-6-7-8-17-39-26-14-16-29(28(32)19-26)34-40(37,38)27-15-9-22-20-35(21-23(22)18-27)30(36)33-25-12-10-24(11-13-25)31(2,3)4/h9-16,18-19,34H,5-8,17,20-21H2,1-4H3,(H,33,36)
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| InChIKey |
MLZQWQQHGHTNJC-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