COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK586853
Chemical Name: trans-4-[({N-[(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-S-methyl-L-cysteinyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: CSC[C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)ccc(c2OC)OC

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Molecular Weight: 534.63
Empirical Formula: C26H34N2O8S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.748
Rotatable bonds: 9
H-donors: 3
H-acceptors: 8
PSA: 165
Number of rings: 3

     

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