General Information of the Compound
| Compound ID |
CP0857808
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| Compound Name |
N-(5-(3-cyano-7-(1-(2-(dimethylamino)ethyl)-1H-pyrazol-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-ylamino)-2-methylphenyl)acetamide
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| Structure |
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| Formula |
C23H26N10O
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| Molecular Weight |
458.53
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| Canonical SMILES |
CC(=O)Nc1cc(Nc2cc(Nc3ccn(CCN(C)C)n3)n3ncc(C#N)c3n2)ccc1C
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| InChI |
InChI=1S/C23H26N10O/c1-15-5-6-18(11-19(15)26-16(2)34)27-21-12-22(33-23(29-21)17(13-24)14-25-33)28-20-7-8-32(30-20)10-9-31(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,26,34)(H,27,29)(H,28,30)
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| InChIKey |
RQPKGZKBYDMFSA-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