COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK578072
Chemical Name: 2-[(3a'S,6a'R)-5-fluoro-3'-(4-hydroxybenzyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2

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Molecular Weight: 542.59
Empirical Formula: C29H23FN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.166
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 150
Number of rings: 7

     

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