General Information of the Compound
| Compound ID |
CP0112146
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| Compound Name |
6-(5-Bromo-thiophen-2-ylmethoxy)-6,9-dihydro-1H-purin-2-ylamine
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| Structure |
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| Formula |
C10H10BrN5OS
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| Molecular Weight |
328.195
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| Canonical SMILES |
NC1=Nc2nc[nH]c2C(N1)OCc1ccc(Br)s1
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| InChI |
InChI=1S/C10H10BrN5OS/c11-6-2-1-5(18-6)3-17-9-7-8(14-4-13-7)15-10(12)16-9/h1-2,4,9H,3H2,(H,13,14)(H3,12,15,16)
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| InChIKey |
AUGDHVSPBLVISO-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