COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK493667
Chemical Name: N-(3-nitrophenyl)-2-{[4-(propan-2-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C(C)C)c1csc2c1CCCC2

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Molecular Weight: 457.58
Empirical Formula: C21H23N5O3S2

Physical State: Dry powder
Available Amount: 344 mg

Lipinsky:
logP: 6.5
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 159
Number of rings: 4

     

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