General Information of the Compound
| Compound ID |
CP0555598
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| Compound Name |
US8987445, 220
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| Structure |
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| Formula |
C29H26F4N2O5S
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| Molecular Weight |
590.595
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| Canonical SMILES |
CCOC(C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(cc2)C(O)=O)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C29H26F4N2O5S/c1-4-40-28(3,29(31,32)33)24-14-9-19(15-25(24)30)17-35(26-18(2)23-8-6-5-7-21(23)16-34-26)41(38,39)22-12-10-20(11-13-22)27(36)37/h5-16H,4,17H2,1-3H3,(H,36,37)
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| InChIKey |
OIPUEMNDSSUCMT-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