COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK005873
Chemical Name: 3,3-dimethyl-11-(5-nitrothiophen-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccc(s1)[N+](=O)[O-])N(C(=O)Cc1ccccc1)c1c(N2)cccc1

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Molecular Weight: 487.58
Empirical Formula: C27H25N3O4S

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 5.077
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 123
Number of rings: 5

     

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