General Information of the Compound
| Compound ID |
CP0420749
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| Compound Name |
(4-Chloro-phenyl)-[2-(4,4-dimethoxy-piperidin-1-yl)-8-isopropyl-9H-purin-6-yl]-amine
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| Structure |
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| Formula |
C21H27ClN6O2
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| Molecular Weight |
430.94
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| Canonical SMILES |
COC1(CCN(CC1)c1nc(Nc2ccc(Cl)cc2)c2[nH]c(nc2n1)C(C)C)OC
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| InChI |
InChI=1S/C21H27ClN6O2/c1-13(2)17-24-16-18(23-15-7-5-14(22)6-8-15)26-20(27-19(16)25-17)28-11-9-21(29-3,30-4)10-12-28/h5-8,13H,9-12H2,1-4H3,(H2,23,24,25,26,27)
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| InChIKey |
GTAYPQFTZHINJA-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