General Information of the Compound
| Compound ID |
CP0412537
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| Compound Name |
US9187424, 84
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| Structure |
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| Formula |
C31H27F7N2O4
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| Molecular Weight |
624.553
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| Canonical SMILES |
COc1ccc(NC(=O)C2=C(CC(NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1F
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| InChI |
InChI=1S/C31H27F7N2O4/c1-18-4-6-19(7-5-18)23-17-29(31(36,37)38,20-8-11-22(12-9-20)44-15-3-14-30(33,34)35)40-28(42)26(23)27(41)39-21-10-13-25(43-2)24(32)16-21/h4-13,16H,3,14-15,17H2,1-2H3,(H,39,41)(H,40,42)
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| InChIKey |
LJKHQCNWYPXPPZ-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