COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK601412
Chemical Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-4-(methylsulfanyl)-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]piperidine-4-carboxamide
Smiles: CSCC[C@@H](C(=O)NCC=C)NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2c1nsn2

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Molecular Weight: 497.66
Empirical Formula: C20H27N5O4S3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.876
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 183
Number of rings: 3

     

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