General Information of the Compound
| Compound ID |
CP0478752
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| Compound Name |
US9187424, 110
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| Structure |
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| Formula |
C30H27F6N3O4
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| Molecular Weight |
607.551
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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)cn1
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| InChI |
InChI=1S/C30H27F6N3O4/c1-18-4-6-19(7-5-18)23-16-28(30(34,35)36,20-8-11-22(12-9-20)43-15-3-14-29(31,32)33)39-27(41)25(23)26(40)38-21-10-13-24(42-2)37-17-21/h4-13,17H,3,14-16H2,1-2H3,(H,38,40)(H,39,41)
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| InChIKey |
MVMXTEFREPVTMM-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