COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK832835
Chemical Name: (3E)-4-(1,2-dimethyl-5-nitro-1H-indol-3-yl)but-3-en-2-one
Smiles: CC(=O)/C=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])C

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Molecular Weight: 258.28
Empirical Formula: C14H14N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.685
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 2

     

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