General Information of the Compound
| Compound ID |
CP0408351
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| Compound Name |
2-N-(5-aminopentyl)-9-cyclopentyl-6-N-[4-(morpholin-4-ylmethyl)phenyl]purine-2,6-diamine
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| Structure |
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| Formula |
C26H38N8O
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| Molecular Weight |
478.645
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| Canonical SMILES |
NCCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C26H38N8O/c27-12-4-1-5-13-28-26-31-24(23-25(32-26)34(19-29-23)22-6-2-3-7-22)30-21-10-8-20(9-11-21)18-33-14-16-35-17-15-33/h8-11,19,22H,1-7,12-18,27H2,(H2,28,30,31,32)
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| InChIKey |
UDOUBBQTHDACPD-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