General Information of the Compound
| Compound ID |
CP0564021
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| Compound Name |
US9187424, 58
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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 |
COc1cccc(NC(=O)C2=C(CC(NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C31H28F6N2O4/c1-19-7-9-20(10-8-19)25-18-29(31(35,36)37,21-11-13-23(14-12-21)43-16-4-15-30(32,33)34)39-28(41)26(25)27(40)38-22-5-3-6-24(17-22)42-2/h3,5-14,17H,4,15-16,18H2,1-2H3,(H,38,40)(H,39,41)
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| InChIKey |
BYXAWQMDJIGRJC-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