General Information of the Compound
| Compound ID |
CP0457179
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| Compound Name |
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-[2-(trifluoromethyl)phenyl]purin-6-amine
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| Structure |
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| Formula |
C24H19F5N8O
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| Molecular Weight |
530.461
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| Canonical SMILES |
Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)-c3ccccc3C(F)(F)F)N3CCOCC3)nc2c1F
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| InChI |
InChI=1S/C24H19F5N8O/c25-14-5-6-15-19(18(14)26)33-17(32-15)11-30-21-20-22(35-23(34-21)36-7-9-38-10-8-36)37(12-31-20)16-4-2-1-3-13(16)24(27,28)29/h1-6,12H,7-11H2,(H,32,33)(H,30,34,35)
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| InChIKey |
YPONLNYOFOZBDX-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
Protein ID: PT01351, Casein kinase I isoform delta
Protein ID: PT01551, Casein kinase I isoform epsilon