COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564742
Chemical Name: 2-chloro-N-[(2Z)-5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: COc1cc(CCNC(=O)CSc2n[nH]/c(=N/C(=O)c3ccccc3Cl)/s2)ccc1OC

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Molecular Weight: 493.01
Empirical Formula: C21H21ClN4O4S2

Physical State: Dry powder
Available Amount: 229 mg

Lipinsky:
logP: 3.084
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 151
Number of rings: 3

     

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