General Information of the Compound
| Compound ID |
CP0430312
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| Compound Name |
1-[8-Isopropyl-6-(4-trifluoromethyl-phenylamino)-9H-purin-2-yl]-piperidin-4-ol
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| Structure |
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| Formula |
C20H23F3N6O
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| Molecular Weight |
420.439
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| Canonical SMILES |
CC(C)c1nc2nc(nc(Nc3ccc(cc3)C(F)(F)F)c2[nH]1)N1CCC(O)CC1
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| InChI |
InChI=1S/C20H23F3N6O/c1-11(2)16-25-15-17(24-13-5-3-12(4-6-13)20(21,22)23)27-19(28-18(15)26-16)29-9-7-14(30)8-10-29/h3-6,11,14,30H,7-10H2,1-2H3,(H2,24,25,26,27,28)
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| InChIKey |
QTUCOLTUVVJUAE-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