General Information of the Compound
| Compound ID |
CP0323840
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| Compound Name |
US9233968, 19
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| Structure |
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| Formula |
C21H15N5O
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| Molecular Weight |
353.385
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| Canonical SMILES |
Nc1cn2nc(ccc2n1)C#Cc1ccc(NC(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C21H15N5O/c22-19-14-26-20(24-19)13-12-18(25-26)11-8-15-6-9-17(10-7-15)23-21(27)16-4-2-1-3-5-16/h1-7,9-10,12-14H,22H2,(H,23,27)
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| InChIKey |
KUSRQJDRZJPANQ-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