COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552780
Chemical Name: (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethyl-2H-pyrrolium
Smiles: CCC1=C(C)/C(=C/c2[nH]c(c(c2C)CC)C)/[NH+]=C1C

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Saltdata: Br-
Molecular Weight: 257.4
Empirical Formula: C17H25N2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.161
Rotatable bonds: 3
H-donors: 2
H-acceptors: 0
PSA: 29
Number of rings: 2

     

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