COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596480
Chemical Name: 3-[(3R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2CCC(=O)O)C(=O)Nc2c1cccc2

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Molecular Weight: 490.54
Empirical Formula: C25H22N4O5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.18
Rotatable bonds: 3
H-donors: 3
H-acceptors: 5
PSA: 167
Number of rings: 6

     

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