General Information of the Compound
| Compound ID |
CP0416139
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| Compound Name |
N-(1,3-benzothiazol-2-ylmethyl)-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine
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| Structure |
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| Formula |
C23H20FN7OS
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| Molecular Weight |
461.526
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| Canonical SMILES |
Fc1cccc(c1)-n1cnc2c(NCc3nc4ccccc4s3)nc(nc12)N1CCOCC1
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| InChI |
InChI=1S/C23H20FN7OS/c24-15-4-3-5-16(12-15)31-14-26-20-21(25-13-19-27-17-6-1-2-7-18(17)33-19)28-23(29-22(20)31)30-8-10-32-11-9-30/h1-7,12,14H,8-11,13H2,(H,25,28,29)
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| InChIKey |
HQGZDKFZXRWVSI-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