COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK594393
Chemical Name: ethyl4-[(3a'S,6a'R)-5-chloro-3'-(3,4-dihydroxybenzyl)-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]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(Cl)cc2

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Molecular Weight: 561.98
Empirical Formula: C29H24ClN3O7

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 4.053
Rotatable bonds: 6
H-donors: 4
H-acceptors: 7
PSA: 145
Number of rings: 6

     

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