COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK088726
Chemical Name: 2-[(1E,3E)-3-{1,3-diethyl-5-[(trifluoromethyl)sulfonyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}prop-1-en-1-yl]-1,3-diethyl-5-[(trifluoromethyl)sulfonyl]-1H-3,1-benzimidazol-3-ium
Smiles: CCn1c2ccc(cc2n(/c/1=C/C=C/c1[n+](CC)c2c(n1CC)ccc(c2)S(=O)(=O)C(F)(F)F)CC)S(=O)(=O)C(F)(F)F

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Saltdata: I-
Molecular Weight: 651.67
Empirical Formula: C27H29F6N4O4S2

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 100
Number of rings: 4

     

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