General Information of the Compound
| Compound ID |
CP0520076
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| Compound Name |
3-[2-(4-hydroxybutylamino)-6-[4-(morpholin-4-ylmethyl)anilino]purin-9-yl]cyclopentan-1-ol
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| Structure |
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| Formula |
C25H35N7O3
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| Molecular Weight |
481.601
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| Canonical SMILES |
OCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCC(O)C3)c2n1
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| InChI |
InChI=1S/C25H35N7O3/c33-12-2-1-9-26-25-29-23(22-24(30-25)32(17-27-22)20-7-8-21(34)15-20)28-19-5-3-18(4-6-19)16-31-10-13-35-14-11-31/h3-6,17,20-21,33-34H,1-2,7-16H2,(H2,26,28,29,30)
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| InChIKey |
YKTXLNJRBKYBTJ-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