COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK685785
Chemical Name: 2-[(4-methylphenyl)sulfonyl]-4-nitro-9-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CC2=Cc3cc(ccc3Oc3c2c1cc(c3)[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3

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Molecular Weight: 554.67
Empirical Formula: C32H30N2O5S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 8.501
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 100
Number of rings: 9

     

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