General Information of the Compound
| Compound ID |
CP0313546
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| Compound Name |
US9233968, 27
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| Structure |
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| Formula |
C21H14N4O
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| Molecular Weight |
338.37
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| Canonical SMILES |
O=C(Nc1cccc(c1)C#Cc1ccc2nccn2n1)c1ccccc1
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| InChI |
InChI=1S/C21H14N4O/c26-21(17-6-2-1-3-7-17)23-19-8-4-5-16(15-19)9-10-18-11-12-20-22-13-14-25(20)24-18/h1-8,11-15H,(H,23,26)
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| InChIKey |
FHAGOEPYEYMCRJ-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