COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052311
Chemical Name: 1-[(Z)-azepan-2-ylidene(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol
Smiles: Oc1ccc2c(c1/C(=C/1\CCCCCN1)/[N+](=O)[O-])c([N+](=O)[O-])c1n2CCCCC1

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Molecular Weight: 400.43
Empirical Formula: C20H24N4O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.683
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 128
Number of rings: 4

     

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