General Information of the Compound
| Compound ID |
CP0404113
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| Compound Name |
2-N-(6-aminohexyl)-9-cyclopentyl-6-N-[4-(morpholin-4-ylmethyl)phenyl]purine-2,6-diamine
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| Structure |
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| Formula |
C27H40N8O
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| Molecular Weight |
492.672
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| Canonical SMILES |
NCCCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C27H40N8O/c28-13-5-1-2-6-14-29-27-32-25(24-26(33-27)35(20-30-24)23-7-3-4-8-23)31-22-11-9-21(10-12-22)19-34-15-17-36-18-16-34/h9-12,20,23H,1-8,13-19,28H2,(H2,29,31,32,33)
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| InChIKey |
PHQLAARCRMCRBQ-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