General Information of the Compound
| Compound ID |
CP0705290
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| Compound Name |
6-{1-[3-(2-chlorophenyl)pyrrolidin-1-yl]ethyl}-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 |
C24H27ClF3N5O3
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| Molecular Weight |
525.959
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| Canonical SMILES |
CC(c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ccccc2Cl)C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H26ClN5O.C2HF3O2/c1-14(27-11-10-15(13-27)17-8-4-5-9-19(17)23)20-25-21-18(22(29)26-20)12-24-28(21)16-6-2-3-7-16;3-2(4,5)1(6)7/h4-5,8-9,12,14-16H,2-3,6-7,10-11,13H2,1H3,(H,25,26,29);(H,6,7)
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| InChIKey |
LXZCWBZODXCXLN-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