General Information of the Compound
| Compound ID |
CP0914444
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| Compound Name |
1-isopropyl-6-{1-[3-(4-methylphenoxy)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H25N5O2
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| Molecular Weight |
367.453
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| Canonical SMILES |
Cc1ccc(OC2CN(C(C)c3nc4c(cnn4C(C)C)c(=O)[nH]3)C2)cc1
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| InChI |
InChI=1S/C20H25N5O2/c1-12(2)25-19-17(9-21-25)20(26)23-18(22-19)14(4)24-10-16(11-24)27-15-7-5-13(3)6-8-15/h5-9,12,14,16H,10-11H2,1-4H3,(H,22,23,26)
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| InChIKey |
WFAYHUYBSMWTJA-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