COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545899
Chemical Name: (2S,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H]([C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C(C)(C)C)c1ccc(c(c1OC)OC)OC

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Molecular Weight: 471.56
Empirical Formula: C28H29N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.888
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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