General Information of the Compound
| Compound ID |
CP0887437
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| Compound Name |
US9187424, 134
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| Structure |
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| Formula |
C30H22F8N6O3
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| Molecular Weight |
666.529
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| Canonical SMILES |
Cc1ccc(C2=C(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)C(=O)NC(c3ccc(OCCC(F)(F)F)cc3)(C(F)(F)F)C2(F)F)cc1
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| InChI |
InChI=1S/C30H22F8N6O3/c1-16-2-4-17(5-3-16)23-22(25(45)39-20-10-6-18(7-11-20)24-41-43-44-42-24)26(46)40-28(29(23,34)35,30(36,37)38)19-8-12-21(13-9-19)47-15-14-27(31,32)33/h2-13H,14-15H2,1H3,(H,39,45)(H,40,46)(H,41,42,43,44)
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| InChIKey |
FNUQTZJDCOGHHQ-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