COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143087
Chemical Name: ethyl4-({[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)piperazin-1-yl]carbonothioyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)CCNC=C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 486.64
Empirical Formula: C25H34N4O4S

Physical State: Dry powder
Available Amount: 514 mg

Lipinsky:
logP: 2.229
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 3

     

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