COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455776
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrahydrofuran-2-ylcarbonyl)piperazine-1-carbothioamide
Smiles: COc1cc(CCNC(=S)N2CCN(CC2)C(=O)C2CCCO2)ccc1OC

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Molecular Weight: 407.53
Empirical Formula: C20H29N3O4S

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 0.562
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 3

     

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