COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK361576
Chemical Name: 2-{[5-(morpholin-4-ylmethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1CN1CCOCC1

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Molecular Weight: 403.46
Empirical Formula: C18H21N5O4S

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 2.776
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 131
Number of rings: 3

     

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