COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK234790
Chemical Name: methyl[(4Z)-1-(4-fluorophenyl)-4-{1-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Smiles: COC(=O)CC1=NN(C(=O)/C/1=C(\NCCSCc1nc[nH]c1C)/C)c1ccc(cc1)F

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Molecular Weight: 445.52
Empirical Formula: C21H24FN5O3S

Physical State: Dry powder
Available Amount: 439 mg

Lipinsky:
logP: 2.753
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 124
Number of rings: 3

     

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