General Information of the Compound
| Compound ID |
CP0519817
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| Compound Name |
6-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)purine-2,6-diamine
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| Structure |
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| Formula |
C26H26F3N9O
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| Molecular Weight |
537.55
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| Canonical SMILES |
Fc1cccc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(NCCCN3CCOCC3)nc12
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| InChI |
InChI=1S/C26H26F3N9O/c27-16-3-1-4-17(13-16)38-15-32-23-24(31-14-20-33-19-6-5-18(28)21(29)22(19)34-20)35-26(36-25(23)38)30-7-2-8-37-9-11-39-12-10-37/h1,3-6,13,15H,2,7-12,14H2,(H,33,34)(H2,30,31,35,36)
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| InChIKey |
LDJINQMSHHUBDM-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