COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396436
Chemical Name: 3-{(2E)-3-ethyl-2-[(2E)-3-{1-ethyl-3-(3-sulfonatopropyl)-5-[(trifluoromethyl)sulfonyl]-1H-3,1-benzimidazol-3-ium-2-yl}prop-2-en-1-ylidene]-6-[(trifluoromethyl)sulfonyl]-2,3-dihydro-1H-benzimidazol-1-y
Smiles: CCn1c2ccc(cc2n(/c/1=C/C=C/c1[n+](CCCS(=O)(=O)[O-])c2c(n1CC)ccc(c2)S(=O)(=O)C(F)(F)F)CCCS(=O)(=O)[O-])S(=O)(=O)C(F)(F)F

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Saltdata: Na+
Molecular Weight: 837.84
Empirical Formula: C29H31F6N4O10S4

Physical State: Dry powder
Available Amount: 11 mg

Lipinsky:
logP: 0
Rotatable bonds: 12
H-donors: 0
H-acceptors: 10
PSA: 231
Number of rings: 4

     

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