General Information of the Compound
| Compound ID |
CP0773276
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| Compound Name |
6-{1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H24ClN5O2
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| Molecular Weight |
413.909
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| Canonical SMILES |
CC(c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2cccc(Cl)c2)C1
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| InChI |
InChI=1S/C21H24ClN5O2/c1-13(26-11-17(12-26)29-16-8-4-5-14(22)9-16)19-24-20-18(21(28)25-19)10-23-27(20)15-6-2-3-7-15/h4-5,8-10,13,15,17H,2-3,6-7,11-12H2,1H3,(H,24,25,28)
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| InChIKey |
RWXMPGCFTCWUAG-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