COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK585363
Chemical Name: (2-{[(2'S,3S,3'S,10b'R)-2-oxo-2'-(thiophen-2-ylcarbonyl)-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)c1cccs1)C(=O)Nc1c2cccc1)cccc3

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Molecular Weight: 557.63
Empirical Formula: C33H23N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.387
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 127
Number of rings: 7

     

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