COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383561
Chemical Name: (2E,5Z)-2-{3-[(3-bromophenyl)amino]-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene}-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one
Smiles: C=CCn1/c(=C\2/C(=NN(C2=O)c2ccccc2)Nc2cccc(c2)Br)/s/c(=c/2\sc3c(n2CC)cc(cc3)OC)/c1=O

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Molecular Weight: 660.62
Empirical Formula: C31H26BrN5O3S2

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 5.497
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 128
Number of rings: 6

     

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