COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544773
Chemical Name: 3-(diphenylmethyl)1-methyl(1S,2R,3R)-1-cyano-2-(4-nitrophenyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](N2C1c1ccccc1C=C2)C(=O)OC(c1ccccc1)c1ccccc1

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Molecular Weight: 585.62
Empirical Formula: C35H27N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.402
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 6

     

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