COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455743
Chemical Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide
Smiles: COc1cc(CCNC(=S)N2CCN(CC2)Cc2ccc3c(c2)OCO3)ccc1OC

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Molecular Weight: 443.57
Empirical Formula: C23H29N3O4S

Physical State: Dry powder
Available Amount: 530 mg

Lipinsky:
logP: 2.877
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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