COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531373
Chemical Name: (3R)-N-[(2S)-1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: COc1cc(CCNC(=O)[C@H](C(C)C)NC(=O)[C@H]2N3C(SC2(C)C)c2c(C3=O)cccc2)ccc1OC

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Molecular Weight: 525.67
Empirical Formula: C28H35N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.631
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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