COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL135480
Chemical Name: N-(buta-1,3-dien-1-yl)-4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethyl-N-(naphthalen-1-yl)butanamide
Smiles: C=C/C=C/N(c1cccc2c1cccc2)C(=O)CC(CC1=Nc2ccccc2S(=O)(=O)N1)(C)C

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Molecular Weight: 473.6
Empirical Formula: C27H27N3O3S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 4.274
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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