General Information of the Compound
| Compound ID |
CP0443743
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| Compound Name |
N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
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| Structure |
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| Formula |
C21H17N9O
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| Molecular Weight |
411.429
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| Canonical SMILES |
CC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1
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| InChI |
InChI=1S/C21H17N9O/c1-13(31)24-16-4-3-14-5-8-29(17(14)9-16)19-10-20(25-18-6-7-28(2)27-18)30-21(26-19)15(11-22)12-23-30/h3-10,12H,1-2H3,(H,24,31)(H,25,27)
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| InChIKey |
DDSXGXPBOKBKAJ-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