General Information of the Compound
| Compound ID |
CP0565476
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| Compound Name |
US10300060, Example 15-52
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| Structure |
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| Formula |
C28H17F9N8O2
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| Molecular Weight |
668.48
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| Canonical SMILES |
Nc1ncc(cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-n3ccc(n3)C(F)(F)F)C(F)(F)F)cn2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H17F9N8O2/c29-26(30,31)15-3-6-21(45-8-7-22(44-45)28(35,36)37)20(10-15)43-24(46)42-17-12-40-25(41-13-17)47-18-4-1-14(2-5-18)19-9-16(27(32,33)34)11-39-23(19)38/h1-13H,(H2,38,39)(H2,42,43,46)
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| InChIKey |
BYSOEFKFIIAJFN-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