General Information of the Compound
| Compound ID |
CP0504758
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| Compound Name |
(4-Chloro-phenyl)-[2-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-8-isopropyl-9H-purin-6-yl]-amine
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| Structure |
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| Formula |
C21H25ClN6O2
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| Molecular Weight |
428.924
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| Canonical SMILES |
CC(C)c1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCC2(CC1)OCCO2
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| InChI |
InChI=1S/C21H25ClN6O2/c1-13(2)17-24-16-18(23-15-5-3-14(22)4-6-15)26-20(27-19(16)25-17)28-9-7-21(8-10-28)29-11-12-30-21/h3-6,13H,7-12H2,1-2H3,(H2,23,24,25,26,27)
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| InChIKey |
ZYBGJEKGOZDOOD-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