General Information of the Compound
| Compound ID |
CP0579470
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| Compound Name |
US11161839, Example 10f
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| Structure |
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| Formula |
C23H20ClN7O
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| Molecular Weight |
445.914
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| Canonical SMILES |
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(C)cn1
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| InChI |
InChI=1S/C23H20ClN7O/c1-13-11-27-23(28-12-13)14(2)29-19-9-21(32)31(3)20-5-4-15(8-16(19)20)30-18-6-7-26-22(24)17(18)10-25/h4-9,11-12,14,29H,1-3H3,(H,26,30)
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| InChIKey |
SDJBWTCQZVWJDR-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