General Information of the Compound
| Compound ID |
CP0935435
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| Compound Name |
N-(5-(3-cyano-7-(1-(2-hydroxyethyl)-1H-pyrazol-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-ylamino)-2-methylphenyl)acetamide
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| Structure |
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| Formula |
C21H21N9O2
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| Molecular Weight |
431.46
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| Canonical SMILES |
CC(=O)Nc1cc(Nc2cc(Nc3ccn(CCO)n3)n3ncc(C#N)c3n2)ccc1C
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| InChI |
InChI=1S/C21H21N9O2/c1-13-3-4-16(9-17(13)24-14(2)32)25-19-10-20(26-18-5-6-29(28-18)7-8-31)30-21(27-19)15(11-22)12-23-30/h3-6,9-10,12,31H,7-8H2,1-2H3,(H,24,32)(H,25,27)(H,26,28)
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| InChIKey |
CBOPBLLJBOXTGE-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