General Information of the Compound
| Compound ID |
CP0946221
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| Compound Name |
6-(1-azetidin-1-ylethyl)-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, trifluoroacetate salt
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| Structure |
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| Formula |
C17H22F3N5O3
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| Molecular Weight |
401.389
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| Canonical SMILES |
CC(c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C15H21N5O.C2HF3O2/c1-10(19-7-4-8-19)13-17-14-12(15(21)18-13)9-16-20(14)11-5-2-3-6-11;3-2(4,5)1(6)7/h9-11H,2-8H2,1H3,(H,17,18,21);(H,6,7)
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| InChIKey |
NIUJHYIKOQNXLH-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