General Information of the Compound
| Compound ID |
CP0390077
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| Compound Name |
4-[9-[(4-bromophenyl)methyl]purin-6-yl]morpholine
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| Structure |
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| Formula |
C16H16BrN5O
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| Molecular Weight |
374.242
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| Canonical SMILES |
Brc1ccc(Cn2cnc3c(ncnc23)N2CCOCC2)cc1
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| InChI |
InChI=1S/C16H16BrN5O/c17-13-3-1-12(2-4-13)9-22-11-20-14-15(18-10-19-16(14)22)21-5-7-23-8-6-21/h1-4,10-11H,5-9H2
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| InChIKey |
CSQMMNKDSDJKNW-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