COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK131750
Chemical Name: (2E)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-[3-nitro-4-(pyrrolidin-1-yl)phenyl]prop-2-enoicacid
Smiles: OC(=O)/C(=C\c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)/Sc1nnc([nH]1)C

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Molecular Weight: 375.41
Empirical Formula: C16H17N5O4S

Physical State: Dry powder
Available Amount: 265 mg

Lipinsky:
logP: 4.724
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 153
Number of rings: 3

     

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