COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553805
Chemical Name: ethyl4-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-cyclohexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C1CCCCC1)CSc1nc2c(s1)cccc2

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Molecular Weight: 567.76
Empirical Formula: C27H29N5O3S3

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 8.003
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 177
Number of rings: 5

     

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