COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK161281
Chemical Name: 2-{2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=NN(C1=O)c1ccccc1)C

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Molecular Weight: 548.71
Empirical Formula: C33H32N4O2S

Physical State: Dry powder
Available Amount: 24 mg

Lipinsky:
logP: 7.32
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 6

     

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