COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK458868
Chemical Name: ethyl5-carbamoyl-4-methyl-2-({[4-(4-nitrophenyl)piperazin-1-yl]acetyl}amino)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CN2CCN(CC2)c2ccc(cc2)[N+](=O)[O-])sc(c1C)C(=O)N

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Molecular Weight: 475.53
Empirical Formula: C21H25N5O6S

Physical State: Dry powder
Available Amount: 366 mg

Lipinsky:
logP: 4.492
Rotatable bonds: 5
H-donors: 3
H-acceptors: 6
PSA: 179
Number of rings: 3

     

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