COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK234769
Chemical Name: methyl[(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(tetrahydrofuran-2-ylmethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate
Smiles: COC(=O)CC1=NN(C(=O)/C/1=C(\NCC1CCCO1)/C)c1nc2c(s1)cccc2

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Molecular Weight: 414.49
Empirical Formula: C20H22N4O4S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 2.814
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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