COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564704
Chemical Name: (E)-(2,4-dimethyl-1,3-thiazol-5-yl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: Cc1nc(c(s1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)CCCn1c[nH+]cc1)/[O-])C

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Molecular Weight: 422.51
Empirical Formula: C22H22N4O3S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.499
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 120
Number of rings: 4

     

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