COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446152
Chemical Name: [(4-{5,11-bis[(4-methylphenyl)sulfonyl]-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocin-13-yl}phenyl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1ccc(cc1)N1C2c3ccccc3N(C1c1c(N2S(=O)(=O)c2ccc(cc2)C)cccc1)S(=O)(=O)c1ccc(cc1)C

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Molecular Weight: 697.86
Empirical Formula: C36H31N3O6S3

Physical State: Dry powder
Available Amount: 29 mg

Lipinsky:
logP: 5.075
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 157
Number of rings: 7

     

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