COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829886
Chemical Name: 3-(4-chlorophenyl)-1-(4-nitrobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: Clc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n(c1=O)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 453.91
Empirical Formula: C22H16ClN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.752
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 114
Number of rings: 5

     

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