COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554582
Chemical Name: ethyl4-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1CSc1nc2c(s1)cccc2

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Molecular Weight: 525.68
Empirical Formula: C24H23N5O3S3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 6.809
Rotatable bonds: 10
H-donors: 1
H-acceptors: 3
PSA: 177
Number of rings: 4

     

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