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CD38 inhibitor 78c Structure

CD38 inhibitor 78c

Chemical Properties

Boiling point 589.8±50.0 °C(Predicted)
Density  1.27±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO : 25 mg/mL (60.46 mM; ultrasonic and warming and heat to 60°C)
form  A solid
pka 3.17±0.20(Predicted)
color  Light yellow to brown
InChI InChI=1S/C22H27N3O3S/c1-25-20-8-3-15(21-13-23-14-29-21)11-18(20)19(12-22(25)26)24-16-4-6-17(7-5-16)28-10-9-27-2/h3,8,11-14,16-17,24H,4-7,9-10H2,1-2H3/t16-,17-
InChIKey VJQALSOBHVEJQM-QAQDUYKDSA-N
SMILES N1(C)C2=C(C=C(C3SC=NC=3)C=C2)C(N[C@@H]2CC[C@@H](OCCOC)CC2)=CC1=O

Usage And Synthesis

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