COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064562
Chemical Name: propan-2-yl(3-oxo-1-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}piperazin-2-yl)acetate
Smiles: CC(OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1)C

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Molecular Weight: 395.5
Empirical Formula: C17H21N3O4S2

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 0.676
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 148
Number of rings: 2

     

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