COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143175
Chemical Name: ethyl4-[(cyclohexyl{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}carbamothioyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=S)N(C1CCCCC1)CCCNC1=CC(=O)CC(C1)(C)C

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Molecular Weight: 485.69
Empirical Formula: C27H39N3O3S

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 5.587
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 102
Number of rings: 3

     

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