COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207125
Chemical Name: methyl[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-indol-3-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Smiles: COC(=O)CC1=NN(C(=O)/C/1=C(\NCCc1c[nH]c2c1cccc2)/C)c1nc2c(s1)cccc2

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Molecular Weight: 473.56
Empirical Formula: C25H23N5O3S

Physical State: Dry powder
Available Amount: 348 mg

Lipinsky:
logP: 4.924
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 127
Number of rings: 5

     

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