COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674812
Chemical Name: 1-[3,3-bis(4-methylphenyl)-3'-(2-nitrophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Smiles: Cc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1ccccc1[N+](=O)[O-])C(=O)C)c1ccc(cc1)C

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Molecular Weight: 551.69
Empirical Formula: C31H25N3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.033
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 129
Number of rings: 6

     

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