General Information of the Compound
| Compound ID |
CP0767642
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| Compound Name |
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(3-(isopropylsulfonyl)pyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)tetrahydro-2H-pyran-3-amine
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| Structure |
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| Formula |
C19H24F2N4O3S
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| Molecular Weight |
426.489
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| Canonical SMILES |
CC(C)S(=O)(=O)c1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
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| InChI |
InChI=1S/C19H24F2N4O3S/c1-10(2)29(26,27)19-14-7-25(8-17(14)23-24-19)12-6-16(22)18(28-9-12)13-5-11(20)3-4-15(13)21/h3-5,10,12,16,18H,6-9,22H2,1-2H3,(H,23,24)/t12-,16+,18-/m1/s1
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| InChIKey |
RDGCBPAICNFQFK-PZPSRYQVSA-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
Protein ID: PT00989, Dipeptidyl peptidase 2
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8