General Information of the Compound
| Compound ID |
CP0418835
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| Compound Name |
1-[6-(4-Chloro-phenylamino)-8-isopropyl-9H-purin-2-yl]-4-phenyl-piperidin-4-ol
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| Structure |
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| Formula |
C25H27ClN6O
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| Molecular Weight |
462.985
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| Canonical SMILES |
CC(C)c1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCC(O)(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H27ClN6O/c1-16(2)21-28-20-22(27-19-10-8-18(26)9-11-19)30-24(31-23(20)29-21)32-14-12-25(33,13-15-32)17-6-4-3-5-7-17/h3-11,16,33H,12-15H2,1-2H3,(H2,27,28,29,30,31)
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| InChIKey |
PHTKAQLLQBJLJT-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