General Information of the Compound
| Compound ID |
CP0557539
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| Compound Name |
US9365558, 23
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| Structure |
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| Formula |
C32H34F6N2O5S
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| Molecular Weight |
672.688
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| Canonical SMILES |
FC(F)(F)CCCCCOc1ccc(cc1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(CC2CC2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C32H34F6N2O5S/c33-31(34,35)16-2-1-3-17-45-24-12-10-23(11-13-24)30(32(36,37)38)19-26(22-8-6-21(7-9-22)18-20-4-5-20)27(28(41)39-30)29(42)40-46(43,44)25-14-15-25/h6-13,20,25H,1-5,14-19H2,(H,39,41)(H,40,42)/t30-/m0/s1
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| InChIKey |
RVKPTQKIKMMJAO-PMERELPUSA-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