COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK765657
Chemical Name: ethyl({6-[({[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate
Smiles: CCOC(=O)CSc1nc2c(s1)cc(cc2)NC(=O)CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 544.64
Empirical Formula: C22H20N6O5S3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.295
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 223
Number of rings: 4

     

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