General Information of the Compound
| Compound ID |
CP0773282
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| Compound Name |
1-cyclopentyl-6-{1-[(3R)-3-(2-methoxyphenoxy)pyrrolidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, trifluoroacetate salt
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| Structure |
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| Formula |
C25H30F3N5O5
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| Molecular Weight |
537.539
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| Canonical SMILES |
COc1ccccc1O[C@@H]1CCN(C(C)c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H29N5O3.C2HF3O2/c1-15(27-12-11-17(14-27)31-20-10-6-5-9-19(20)30-2)21-25-22-18(23(29)26-21)13-24-28(22)16-7-3-4-8-16;3-2(4,5)1(6)7/h5-6,9-10,13,15-17H,3-4,7-8,11-12,14H2,1-2H3,(H,25,26,29);(H,6,7)/t15?,17-;/m1./s1
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| InChIKey |
YZRGXESZORXSGL-PKESZJFOSA-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