General Information of the Compound
| Compound ID |
CP0834742
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| Compound Name |
(2R,3S,5R)-5-(2-(cyclopropylsulfonyl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)-2-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-amine
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| Structure |
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| Formula |
C19H22F2N4O3S
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| Molecular Weight |
424.473
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| Canonical SMILES |
N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)CO[C@@H]1c1cc(F)ccc1F
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| InChI |
InChI=1S/C19H22F2N4O3S/c20-12-1-4-16(21)15(5-12)19-17(22)6-13(10-28-19)24-7-11-8-25(23-18(11)9-24)29(26,27)14-2-3-14/h1,4-5,8,13-14,17,19H,2-3,6-7,9-10,22H2/t13-,17+,19-/m1/s1
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| InChIKey |
MOXGYTJGIKCZID-XVGQJIODSA-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