General Information of the Compound
| Compound ID |
CP0457186
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| Compound Name |
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(2-fluoropyridin-4-yl)-2-morpholin-4-ylpurin-6-amine
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| Structure |
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| Formula |
C22H18F3N9O
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| Molecular Weight |
481.442
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| Canonical SMILES |
Fc1cc(ccn1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
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| InChI |
InChI=1S/C22H18F3N9O/c23-13-1-2-14-18(17(13)25)30-16(29-14)10-27-20-19-21(32-22(31-20)33-5-7-35-8-6-33)34(11-28-19)12-3-4-26-15(24)9-12/h1-4,9,11H,5-8,10H2,(H,29,30)(H,27,31,32)
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| InChIKey |
TYTKIWCNOHDDQX-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