General Information of the Compound
| Compound ID |
CP0416163
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| Compound Name |
6-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-N-(2-morpholin-4-ylethyl)purine-2,6-diamine
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| Structure |
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| Formula |
C25H24F3N9O
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| Molecular Weight |
523.523
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| Canonical SMILES |
Fc1cccc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(NCCN3CCOCC3)nc12
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| InChI |
InChI=1S/C25H24F3N9O/c26-15-2-1-3-16(12-15)37-14-31-22-23(30-13-19-32-18-5-4-17(27)20(28)21(18)33-19)34-25(35-24(22)37)29-6-7-36-8-10-38-11-9-36/h1-5,12,14H,6-11,13H2,(H,32,33)(H2,29,30,34,35)
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| InChIKey |
DIVDTFZGWDUARK-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