COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK366432
Chemical Name: 2-{4-[(4Z)-4-{[4-(diethylamino)phenyl]imino}-3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1,3-benzothiazole-5-sulfonicacid
Smiles: CCCCCCCCCCCCCCCCCC1=NN(C(=O)/C/1=N\c1ccc(cc1)N(CC)CC)c1ccc(cc1)c1sc2c(n1)cc(cc2)S(=O)(=O)O

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Molecular Weight: 772.09
Empirical Formula: C43H57N5O4S2

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 11.875
Rotatable bonds: 20
H-donors: 1
H-acceptors: 4
PSA: 152
Number of rings: 5

     

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