General Information of the Compound
| Compound ID |
CP0787448
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| Compound Name |
1-isopropyl-6-{1-[3-(4-methylphenoxy)azetidin-1-yl]propyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H27N5O2
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| Molecular Weight |
381.48
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| Canonical SMILES |
CCC(c1nc2c(cnn2C(C)C)c(=O)[nH]1)N1CC(Oc2ccc(C)cc2)C1
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| InChI |
InChI=1S/C21H27N5O2/c1-5-18(25-11-16(12-25)28-15-8-6-14(4)7-9-15)19-23-20-17(21(27)24-19)10-22-26(20)13(2)3/h6-10,13,16,18H,5,11-12H2,1-4H3,(H,23,24,27)
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| InChIKey |
CJINBVZVHGPPEN-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