General Information of the Compound
| Compound ID |
CP0503290
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| Compound Name |
Butyl-[8-butyl-9-(2-chloro-4,6-dimethoxy-phenyl)-2-methyl-9H-purin-6-yl]-ethyl-amine
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| Structure |
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| Formula |
C24H34ClN5O2
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| Molecular Weight |
460.022
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(c(CCCC)nc12)-c1c(Cl)cc(OC)cc1OC
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| InChI |
InChI=1S/C24H34ClN5O2/c1-7-10-12-20-28-21-23(29(9-3)13-11-8-2)26-16(4)27-24(21)30(20)22-18(25)14-17(31-5)15-19(22)32-6/h14-15H,7-13H2,1-6H3
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| InChIKey |
GWRKXUBPHDIBJP-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