General Information of the Compound
Compound ID |
CP0382541
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Compound Name |
2-anilino-5,5-dimethyl-7-[(2S)-3-methylbutan-2-yl]pyrrolo[2,3-d]pyrimidin-6-one
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Structure |
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Formula |
C19H24N4O
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Molecular Weight |
324.428
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Canonical SMILES |
CC(C)[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12
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InChI |
InChI=1S/C19H24N4O/c1-12(2)13(3)23-16-15(19(4,5)17(23)24)11-20-18(22-16)21-14-9-7-6-8-10-14/h6-13H,1-5H3,(H,20,21,22)/t13-/m0/s1
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InChIKey |
OZDSTDXOAUEHIH-ZDUSSCGKSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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