General Information of the Compound
| Compound ID |
CP0559800
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| Compound Name |
2-N-(4-aminobutyl)-9-cyclopentyl-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
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| Structure |
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| Formula |
C24H34N8O
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| Molecular Weight |
450.591
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| Canonical SMILES |
NCCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C24H34N8O/c25-11-3-4-12-26-24-29-22(21-23(30-24)32(17-27-21)20-5-1-2-6-20)28-18-7-9-19(10-8-18)31-13-15-33-16-14-31/h7-10,17,20H,1-6,11-16,25H2,(H2,26,28,29,30)
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| InChIKey |
CQPNYQKGQFUXRX-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