COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372291
Chemical Name: 3-({(E)-[5-nitro-2-(pyrrolidin-1-yl)phenyl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: [O-][N+](=O)c1ccc(c(c1)/C=N/n1cnc2c(c1=O)c1CCCCc1s2)N1CCCC1

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Molecular Weight: 423.5
Empirical Formula: C21H21N5O3S

Physical State: Dry powder
Available Amount: 345 mg

Lipinsky:
logP: 4.866
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 122
Number of rings: 5

     

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