COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL322092
Chemical Name: 2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]-3-methylbenzonitrile
Smiles: N#Cc1cccc(c1NC1=CC(=O)CC(C1)(C)C)C

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Saltdata: HCl
Molecular Weight: 254.33
Empirical Formula: C16H18N2O

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.819
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 52
Number of rings: 2

     

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