General Information of the Compound
| Compound ID |
CP0390078
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| Compound Name |
4-[9-[(4-bromophenyl)methyl]-8-methylpurin-6-yl]morpholine
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| Structure |
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| Formula |
C17H18BrN5O
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| Molecular Weight |
388.269
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| Canonical SMILES |
Cc1nc2c(ncnc2n1Cc1ccc(Br)cc1)N1CCOCC1
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| InChI |
InChI=1S/C17H18BrN5O/c1-12-21-15-16(22-6-8-24-9-7-22)19-11-20-17(15)23(12)10-13-2-4-14(18)5-3-13/h2-5,11H,6-10H2,1H3
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| InChIKey |
IRDCNBGZRDOIIL-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