General Information of the Compound
| Compound ID |
CP0420972
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| Compound Name |
N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-hydroxyethyl)indol-5-yl]acetamide
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| Structure |
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| Formula |
C22H21N7O2
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| Molecular Weight |
415.457
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| Canonical SMILES |
CC(=O)Nc1ccc2n(CCO)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
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| InChI |
InChI=1S/C22H21N7O2/c1-13(31)25-16-4-5-20-17(8-16)18(12-28(20)6-7-30)19-9-21(26-15-2-3-15)29-22(27-19)14(10-23)11-24-29/h4-5,8-9,11-12,15,26,30H,2-3,6-7H2,1H3,(H,25,31)
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| InChIKey |
KGMKLEHOPKHACL-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