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- 3 of 3 defined stereocentres
2-({(3S,5R)-4-Amino-5-[(3S)-5-(4-chlorophenyl)-3H-pyrazol-3-yl]-1,2,4-triazolidin-3-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
CCOC1C=CC(=CC=1)NC(=O)CS[C@H]1NN[C@@H]([C@@H]2C=C(N=N2)C2C=CC(Cl)=CC=2)N1N
InChI=1S/C21H24ClN7O2S/c1-2-31-16-9-7-15(8-10-16)24-19(30)12-32-21-28-27-20(29(21)23)18-11-17(25-26-18)13-3-5-14(22)6-4-13/h3-11,18,20-21,27-28H,2,12,23H2,1H3,(H,24,30)/t18-,20+,21-/m0/s1
IAQQZWRUPYXMRJ-TYPHKJRUSA-N
CSID:62542026, http://www.chemspider.com/Chemical-Structure.62542026.html (accessed 08:37, Apr 30, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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