COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889191
Chemical Name: [(7E)-3-(1,3-benzodioxol-5-yl)-7-(1,3-benzodioxol-5-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(morpholin-4-yl)-3-nitrophenyl]methanone
Smiles: O=C(N1N=C2C(C1c1ccc3c(c1)OCO3)CCC/C/2=C\c1ccc2c(c1)OCO2)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1

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Molecular Weight: 610.62
Empirical Formula: C33H30N4O8

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 5.692
Rotatable bonds: 3
H-donors: 0
H-acceptors: 8
PSA: 127
Number of rings: 8

     

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