General Information of the Compound
| Compound ID |
CP0550648
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| Compound Name |
US9278960, 6-20
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| Structure |
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| Formula |
C21H16N6O
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| Molecular Weight |
368.4
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(Cc3ccnc(c3)C#N)ccc12)C(N)=O
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| InChI |
InChI=1S/C21H16N6O/c1-27-12-15(11-25-27)18-9-20(21(23)28)26-19-8-13(2-3-17(18)19)6-14-4-5-24-16(7-14)10-22/h2-5,7-9,11-12H,6H2,1H3,(H2,23,28)
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| InChIKey |
WQWZJYQRQKROKC-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