General Information of the Compound
| Compound ID |
CP0557894
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| Compound Name |
4-[[9-cyclopentyl-6-[4-(1,3-thiazol-2-yloxy)anilino]purin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C23H27N7O2S
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| Molecular Weight |
465.583
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| Canonical SMILES |
OCCCCNc1nc(Nc2ccc(Oc3nccs3)cc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C23H27N7O2S/c31-13-4-3-11-24-22-28-20(19-21(29-22)30(15-26-19)17-5-1-2-6-17)27-16-7-9-18(10-8-16)32-23-25-12-14-33-23/h7-10,12,14-15,17,31H,1-6,11,13H2,(H2,24,27,28,29)
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| InChIKey |
ROPOQJHLHSKMNN-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