COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK598789
Chemical Name: (2-{[(2'S,3S,3'S,10b'R)-2'-(1,3-benzodioxol-5-ylcarbonyl)-2-oxo-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl]carbonyl}phenoxy)acetonitrile
Smiles: N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc4c(c1)OCO4)C(=O)Nc1c2cccc1)cccc3

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Molecular Weight: 595.61
Empirical Formula: C36H25N3O6

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 7.21
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 117
Number of rings: 8

     

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