COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL235683
Chemical Name: methyl4-({[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]carbonothioyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=S)N1CCCN(CC1)c1ncccn1

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Molecular Weight: 371.46
Empirical Formula: C18H21N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.478
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 102
Number of rings: 3

     

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