COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK573957
Chemical Name: (3S)-N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)[C@H]1NCc2c(C1)cccc2

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Saltdata: HCl
Molecular Weight: 427.52
Empirical Formula: C22H25N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.552
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 113
Number of rings: 4

     

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