General Information of the Compound
| Compound ID |
CP0551388
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| Compound Name |
US8987445, 189
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| Structure |
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| Formula |
C29H26F2N2O4S
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| Molecular Weight |
536.6
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(cc1)C(F)(F)C1CCC1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H26F2N2O4S/c1-19-26-8-3-2-5-22(26)17-32-27(19)33(38(36,37)25-15-11-21(12-16-25)28(34)35)18-20-9-13-24(14-10-20)29(30,31)23-6-4-7-23/h2-3,5,8-17,23H,4,6-7,18H2,1H3,(H,34,35)
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| InChIKey |
AYJPSEPPHJSUMC-UHFFFAOYSA-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