General Information of the Compound
| Compound ID |
CP0491960
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| Compound Name |
US9365558, 38
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| Structure |
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| Formula |
C29H30F6N2O6S
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| Molecular Weight |
648.622
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| Canonical SMILES |
COc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H30F6N2O6S/c1-42-20-9-5-18(6-10-20)23-17-27(29(33,34)35,36-25(38)24(23)26(39)37-44(40,41)22-13-14-22)19-7-11-21(12-8-19)43-16-4-2-3-15-28(30,31)32/h5-12,22H,2-4,13-17H2,1H3,(H,36,38)(H,37,39)/t27-/m0/s1
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| InChIKey |
RGUQKHHNSDGMMY-MHZLTWQESA-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