COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK088210
Chemical Name: 1-cyclohexyl-1-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-3-(3-methylphenyl)thiourea
Smiles: O=C1C=C(NCCCN(C(=S)Nc2cccc(c2)C)C2CCCCC2)CC(C1)(C)C

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Molecular Weight: 427.65
Empirical Formula: C25H37N3OS

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 5.105
Rotatable bonds: 5
H-donors: 2
H-acceptors: 1
PSA: 76
Number of rings: 3

     

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