General Information of the Compound
| Compound ID |
CP0565477
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| Compound Name |
US10300060, Example 15-63
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| Structure |
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| Formula |
C26H17Cl2F3N8O2
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| Molecular Weight |
601.376
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| Canonical SMILES |
Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-n3cc(Cl)cn3)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C26H17Cl2F3N8O2/c27-16-8-20(23(32)33-9-16)14-1-4-19(5-2-14)41-25-34-11-18(12-35-25)37-24(40)38-21-7-15(26(29,30)31)3-6-22(21)39-13-17(28)10-36-39/h1-13H,(H2,32,33)(H2,37,38,40)
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| InChIKey |
COGIMTBAFAQCIC-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