COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL535265
Chemical Name: 6,7-dimethoxy-N-[(2S)-4-(methylsulfanyl)-1-oxo-1-(phenylamino)butan-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: CSCC[C@@H](C(=O)Nc1ccccc1)NC(=O)N1CCc2c(C1)cc(c(c2)OC)OC

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Molecular Weight: 443.57
Empirical Formula: C23H29N3O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.827
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 105
Number of rings: 3

     

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