COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK624103
Chemical Name: 1-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1cc(ccc1OC)c1csc(n1)C1=C(O)CN(C1=N)CCC1CCN(CC1)Cc1ccccc1

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Molecular Weight: 518.68
Empirical Formula: C29H34N4O3S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 4.426
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 110
Number of rings: 5

     

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