General Information of the Compound
| Compound ID |
CP0547446
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| Compound Name |
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine
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| Structure |
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| Formula |
C21H18F2N8OS
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| Molecular Weight |
468.493
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| Canonical SMILES |
Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)-c3ccsc3)N3CCOCC3)nc2c1F
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| InChI |
InChI=1S/C21H18F2N8OS/c22-13-1-2-14-17(16(13)23)27-15(26-14)9-24-19-18-20(31(11-25-18)12-3-8-33-10-12)29-21(28-19)30-4-6-32-7-5-30/h1-3,8,10-11H,4-7,9H2,(H,26,27)(H,24,28,29)
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| InChIKey |
HTEKOFMWOLKPGN-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