COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK752740
Chemical Name: 4-(azepan-1-yl)-6-{(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
Smiles: [O-][N+](=O)c1cc2OCOc2cc1/C=N\Nc1nc(Nc2ccc(cc2)[N+](=O)[O-])nc(n1)N1CCCCCC1

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Molecular Weight: 521.49
Empirical Formula: C23H23N9O6

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 3.952
Rotatable bonds: 2
H-donors: 2
H-acceptors: 6
PSA: 188
Number of rings: 5

     

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