General Information of the Compound
| Compound ID |
CP0919514
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| Compound Name |
1-cyclopentyl-6-{(1R)-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 |
C22H27N5O2
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| Molecular Weight |
393.491
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| Canonical SMILES |
Cc1ccc(OC2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cc1
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| InChI |
InChI=1S/C22H27N5O2/c1-14-7-9-17(10-8-14)29-18-12-26(13-18)15(2)20-24-21-19(22(28)25-20)11-23-27(21)16-5-3-4-6-16/h7-11,15-16,18H,3-6,12-13H2,1-2H3,(H,24,25,28)/t15-/m1/s1
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| InChIKey |
GIJHOAMCCDENMR-OAHLLOKOSA-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