COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565538
Chemical Name: (2E)-N-[(2Z)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Smiles: COc1ccc(cc1Br)c1cs/c(=N\C(=O)/C=C/c2ccc(cc2)C(C)C)/[nH]1

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Molecular Weight: 457.39
Empirical Formula: C22H21BrN2O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.346
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 75
Number of rings: 3

     

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