General Information of the Compound
| Compound ID |
CP0578175
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| Compound Name |
US9365558, 68
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| Structure |
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| Formula |
C29H29F7N2O5S
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| Molecular Weight |
650.613
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F)c1ccc(cc1)C1CC1
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| InChI |
InChI=1S/C29H29F7N2O5S/c1-44(41,42)38-26(40)24-21(19-9-7-18(8-10-19)17-5-6-17)16-27(29(34,35)36,37-25(24)39)22-12-11-20(15-23(22)30)43-14-4-2-3-13-28(31,32)33/h7-12,15,17H,2-6,13-14,16H2,1H3,(H,37,39)(H,38,40)/t27-/m0/s1
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| InChIKey |
ORZFFKXWQBEOAD-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