General Information of the Compound
| Compound ID |
CP0549533
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| Compound Name |
1-[6-(4-Chloro-phenylamino)-8-isopropyl-9H-purin-2-yl]-4-methyl-piperidin-4-ol
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| Structure |
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| Formula |
C20H25ClN6O
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| Molecular Weight |
400.914
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| Canonical SMILES |
CC(C)c1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCC(C)(O)CC1
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| InChI |
InChI=1S/C20H25ClN6O/c1-12(2)16-23-15-17(22-14-6-4-13(21)5-7-14)25-19(26-18(15)24-16)27-10-8-20(3,28)9-11-27/h4-7,12,28H,8-11H2,1-3H3,(H2,22,23,24,25,26)
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| InChIKey |
RWXHWYYYKDPQKT-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