General Information of the Compound
| Compound ID |
CP0500950
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| Compound Name |
US10300060, Example 14-6
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| Structure |
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| Formula |
C28H19F4N7O2
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| Molecular Weight |
561.499
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| Canonical SMILES |
Nc1ncc(F)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-c3cccnc3)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C28H19F4N7O2/c29-19-11-23(25(33)35-13-19)16-3-6-21(7-4-16)41-27-36-14-20(15-37-27)38-26(40)39-24-10-18(28(30,31)32)5-8-22(24)17-2-1-9-34-12-17/h1-15H,(H2,33,35)(H2,38,39,40)
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| InChIKey |
NMYDPHOWOZZONW-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