General Information of the Compound
| Compound ID |
CP0509459
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| Compound Name |
1-[6-(4-Chloro-phenylamino)-8-isopropyl-9H-purin-2-yl]-piperidin-4-one
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| Structure |
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| Formula |
C19H21ClN6O
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| Molecular Weight |
384.871
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| Canonical SMILES |
CC(C)c1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCC(=O)CC1
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| InChI |
InChI=1S/C19H21ClN6O/c1-11(2)16-22-15-17(21-13-5-3-12(20)4-6-13)24-19(25-18(15)23-16)26-9-7-14(27)8-10-26/h3-6,11H,7-10H2,1-2H3,(H2,21,22,23,24,25)
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| InChIKey |
QJCGCTHKPLYOEC-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