General Information of the Compound
| Compound ID |
CP0396171
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| Compound Name |
9-cyclopentyl-2-N-[(4-methoxyphenyl)methyl]-6-N-[4-(morpholin-4-ylmethyl)phenyl]purine-2,6-diamine
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| Structure |
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| Formula |
C29H35N7O2
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| Molecular Weight |
513.646
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| Canonical SMILES |
COc1ccc(CNc2nc(Nc3ccc(CN4CCOCC4)cc3)c3ncn(C4CCCC4)c3n2)cc1
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| InChI |
InChI=1S/C29H35N7O2/c1-37-25-12-8-21(9-13-25)18-30-29-33-27(26-28(34-29)36(20-31-26)24-4-2-3-5-24)32-23-10-6-22(7-11-23)19-35-14-16-38-17-15-35/h6-13,20,24H,2-5,14-19H2,1H3,(H2,30,32,33,34)
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| InChIKey |
GUWZGRMKGSDDBI-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