General Information of the Compound
| Compound ID |
CP0227554
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| Compound Name |
US9233968, 13
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| Structure |
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| Formula |
C22H17N5O
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| Molecular Weight |
367.412
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2ccc(cc2)C#Cc2ccc3nccn3n2)cc1
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| InChI |
InChI=1S/C22H17N5O/c1-16-2-7-18(8-3-16)24-22(28)25-19-9-4-17(5-10-19)6-11-20-12-13-21-23-14-15-27(21)26-20/h2-5,7-10,12-15H,1H3,(H2,24,25,28)
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| InChIKey |
MHNYSEUTQBXBDK-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