COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK301989
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-chloro-1-ethyl-1H-pyrazol-3-yl)methanone
Smiles: CCn1cc(c(n1)C(=O)N1N=C2C(C1c1ccc3c(c1)OCO3)CCC/C/2=C\c1ccc2c(c1)OCO2)Cl

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Molecular Weight: 532.98
Empirical Formula: C28H25ClN4O5

Physical State: Dry powder
Available Amount: 35 mg

Lipinsky:
logP: 4.245
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 87
Number of rings: 7

     

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