COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK594744
Chemical Name: 4-{[(2'S,3S,3'S,10b'R)-2-oxo-2'-{[4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl]carbonyl}phenylacetate
Smiles: C=CCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC(=O)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

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Molecular Weight: 610.67
Empirical Formula: C38H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.4
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 7

     

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