COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396275
Chemical Name: 5-cyano-1,3-diethyl-2-[(1E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1H-3,1-benzimidazol-3-ium
Smiles: N#Cc1ccc2c(c1)[n+](CC)c(n2CC)/C=C/C=c/1\oc2c(n1CC)cc(cc2)c1ccccc1

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Saltdata: H2O, I-
Molecular Weight: 461.59
Empirical Formula: C30H29N4O

Physical State: Dry powder
Available Amount: 713 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 45
Number of rings: 5

     

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