COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL031939
Chemical Name: 2-{[({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)Nc2ccccc2C(=O)[O-])nnc1CSc1nc2c(s1)cccc2

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Saltdata: K+
Molecular Weight: 496.61
Empirical Formula: C22H18N5O3S3

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 6.368
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 191
Number of rings: 4

     

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