General Information of the Compound
| Compound ID |
CP0536216
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| Compound Name |
US9035059, 7-19
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| Structure |
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| Formula |
C29H38FN3O3S2
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| Molecular Weight |
559.773
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| Canonical SMILES |
CCCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(Cc4cnc(s4)C(C)(C)C)CCc3c2)c(F)c1
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| InChI |
InChI=1S/C29H38FN3O3S2/c1-5-6-7-8-15-36-23-10-12-27(26(30)17-23)32-38(34,35)25-11-9-22-19-33(14-13-21(22)16-25)20-24-18-31-28(37-24)29(2,3)4/h9-12,16-18,32H,5-8,13-15,19-20H2,1-4H3
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| InChIKey |
VVEBTYKAOBSQNX-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