COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780524
Chemical Name: 1-(4-chloro-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Smiles: Clc1cnn(c1)C(=O)CCCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 311.73
Empirical Formula: C12H14ClN5O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.797
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 98
Number of rings: 2

     

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