General Information of the Compound
| Compound ID |
CP0560033
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| Compound Name |
US9365558, 39
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| Structure |
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| Formula |
C28H29F8N3O6S
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| Molecular Weight |
687.606
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| Canonical SMILES |
CN(C)S(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C28H29F8N3O6S/c1-39(2)46(42,43)38-24(41)22-21(17-6-10-20(11-7-17)45-25(29)30)16-26(28(34,35)36,37-23(22)40)18-8-12-19(13-9-18)44-15-5-3-4-14-27(31,32)33/h6-13,25H,3-5,14-16H2,1-2H3,(H,37,40)(H,38,41)/t26-/m0/s1
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| InChIKey |
MEZGKYZMQIHTMT-SANMLTNESA-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