General Information of the Compound
| Compound ID |
CP0521672
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| Compound Name |
US9187424, 281
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| Structure |
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| Formula |
C28H25F6N3O4
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| Molecular Weight |
581.513
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| Canonical SMILES |
Cc1cc(NC(=O)C2=C(CC(NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)on1
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| InChI |
InChI=1S/C28H25F6N3O4/c1-16-4-6-18(7-5-16)21-15-26(28(32,33)34,19-8-10-20(11-9-19)40-13-3-12-27(29,30)31)36-25(39)23(21)24(38)35-22-14-17(2)37-41-22/h4-11,14H,3,12-13,15H2,1-2H3,(H,35,38)(H,36,39)
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| InChIKey |
MOCRUSFTZZNVHM-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