General Information of the Compound
| Compound ID |
CP0560032
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| Compound Name |
US9365558, 37
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| Structure |
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| Formula |
C29H28F8N2O6S
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| Molecular Weight |
684.602
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| Canonical SMILES |
FC(F)Oc1ccc(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/C29H28F8N2O6S/c30-26(31)45-20-8-4-17(5-9-20)22-16-27(29(35,36)37,38-24(40)23(22)25(41)39-46(42,43)21-12-13-21)18-6-10-19(11-7-18)44-15-3-1-2-14-28(32,33)34/h4-11,21,26H,1-3,12-16H2,(H,38,40)(H,39,41)/t27-/m0/s1
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| InChIKey |
IVCWMAWDCLZCAW-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