COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK448145
Chemical Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiourea
Smiles: COc1cc(CCNC(=S)Nc2sc3c(c2C(=O)N2CCCCC2)CCCC3)ccc1OC

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Molecular Weight: 487.69
Empirical Formula: C25H33N3O3S2

Physical State: Dry powder
Available Amount: 530 mg

Lipinsky:
logP: 5.632
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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