COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755382
Chemical Name: 1-({2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-5-nitrophenyl}sulfonyl)azepane
Smiles: [O-][N+](=O)c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)N/N=C/c1ccc2c(c1)OCO2

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Molecular Weight: 446.48
Empirical Formula: C20H22N4O6S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 6.2
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 4

     

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