General Information of the Compound
| Compound ID |
CP0716731
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| Compound Name |
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-(phenylsulfonyl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)tetrahydro-2H-pyran-3-amine
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| Structure |
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| Formula |
C22H22F2N4O3S
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| Molecular Weight |
460.506
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| Canonical SMILES |
N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)c4ccccc4)nc3C2)CO[C@@H]1c1cc(F)ccc1F
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| InChI |
InChI=1S/C22H22F2N4O3S/c23-15-6-7-19(24)18(8-15)22-20(25)9-16(13-31-22)27-10-14-11-28(26-21(14)12-27)32(29,30)17-4-2-1-3-5-17/h1-8,11,16,20,22H,9-10,12-13,25H2/t16-,20+,22-/m1/s1
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| InChIKey |
UGORTBWJNCRXTF-QGCDCVKKSA-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