General Information of the Compound
| Compound ID |
CP0225528
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| Compound Name |
4-acetamido-N-[1-(6-cyanopyrazin-2-yl)indazol-6-yl]butanamide
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| Structure |
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| Formula |
C18H17N7O2
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| Molecular Weight |
363.381
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| Canonical SMILES |
CC(=O)NCCCC(=O)Nc1ccc2cnn(-c3cncc(n3)C#N)c2c1
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| InChI |
InChI=1S/C18H17N7O2/c1-12(26)21-6-2-3-18(27)24-14-5-4-13-9-22-25(16(13)7-14)17-11-20-10-15(8-19)23-17/h4-5,7,9-11H,2-3,6H2,1H3,(H,21,26)(H,24,27)
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| InChIKey |
WXDJSODATUPUCS-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