General Information of the Compound
| Compound ID |
CP0469913
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| Compound Name |
2-[[9-cyclopentyl-6-[4-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]ethanol
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| Structure |
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| Formula |
C23H31N7O2
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| Molecular Weight |
437.548
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| Canonical SMILES |
OCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C23H31N7O2/c31-12-9-24-23-27-21(20-22(28-23)30(16-25-20)19-3-1-2-4-19)26-18-7-5-17(6-8-18)15-29-10-13-32-14-11-29/h5-8,16,19,31H,1-4,9-15H2,(H2,24,26,27,28)
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| InChIKey |
PKVOUSJXYWVTGK-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