COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK302282
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](1-ethyl-4-nitro-1H-pyrazol-3-yl)methanone
Smiles: CCn1nc(c(c1)[N+](=O)[O-])C(=O)N1N=C2C(C1c1ccc3c(c1)OCO3)CCC/C/2=C\c1ccc2c(c1)OCO2

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Molecular Weight: 543.54
Empirical Formula: C28H25N5O7

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.761
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 133
Number of rings: 7

     

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