COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143086
Chemical Name: ethyl4-{[(4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}piperazin-1-yl)carbonothioyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)CCNC1=CC(=O)CC(C1)(C)C

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Molecular Weight: 458.63
Empirical Formula: C24H34N4O3S

Physical State: Dry powder
Available Amount: 448 mg

Lipinsky:
logP: 3.201
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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