General Information of the Compound
| Compound ID |
CP0564027
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| Compound Name |
US9187424, 163
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| Structure |
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| Formula |
C31H26F8N2O4
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| Molecular Weight |
642.543
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| Canonical SMILES |
COc1ccc(cc1)C(=O)NC1=C(c2ccc(C)cc2)C(F)(F)C(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H26F8N2O4/c1-18-4-6-19(7-5-18)24-25(40-26(42)20-8-12-22(44-2)13-9-20)27(43)41-29(30(24,35)36,31(37,38)39)21-10-14-23(15-11-21)45-17-3-16-28(32,33)34/h4-15H,3,16-17H2,1-2H3,(H,40,42)(H,41,43)
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| InChIKey |
AUTXDAZKDQCXTP-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