General Information of the Compound
| Compound ID |
CP0906543
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| Compound Name |
US9187424, 111
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| Structure |
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| Formula |
C30H25F6N7O3
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| Molecular Weight |
645.564
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| Canonical SMILES |
Cc1ccc(C2=C(C(=O)Nc3ccc(-c4nnn[nH]4)nc3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C30H25F6N7O3/c1-17-3-5-18(6-4-17)22-15-28(30(34,35)36,19-7-10-21(11-8-19)46-14-2-13-29(31,32)33)39-27(45)24(22)26(44)38-20-9-12-23(37-16-20)25-40-42-43-41-25/h3-12,16H,2,13-15H2,1H3,(H,38,44)(H,39,45)(H,40,41,42,43)
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| InChIKey |
CCWWMRSVZKCVBQ-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