COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL009072
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Smiles: COc1cc(CCNC(=O)c2ccc3c(c2)sc(n3)n2cccc2)ccc1OC

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Molecular Weight: 407.49
Empirical Formula: C22H21N3O3S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.528
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 4

     

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