COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553002
Chemical Name: (1'S,2'S,3R,3a'R)-2'-(1,3-benzodioxol-5-ylcarbonyl)-1'-[(3-bromo-4-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1

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Molecular Weight: 649.5
Empirical Formula: C35H25BrN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.571
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 94
Number of rings: 8

     

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