General Information of the Compound
| Compound ID |
CP0556451
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| Compound Name |
US9187424, 265
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| Structure |
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| Formula |
C31H28F6N2O4
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| Molecular Weight |
606.563
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| Canonical SMILES |
COc1ccccc1NC(=O)C1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1
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| InChI |
InChI=1S/C31H28F6N2O4/c1-19-8-10-20(11-9-19)23-18-29(31(35,36)37,21-12-14-22(15-13-21)43-17-5-16-30(32,33)34)39-28(41)26(23)27(40)38-24-6-3-4-7-25(24)42-2/h3-4,6-15H,5,16-18H2,1-2H3,(H,38,40)(H,39,41)
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| InChIKey |
IBNSPLWDCCNBIF-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