COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011955
Chemical Name: 2-(4,5-dimethyl-2-nitrophenyl)-8-(diphenylmethylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1C2C3C=CC(C2C(=O)N1c1cc(C)c(cc1[N+](=O)[O-])C)/C/3=C(\c1ccccc1)/c1ccccc1

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Molecular Weight: 476.53
Empirical Formula: C30H24N2O4

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 5.952
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 83
Number of rings: 6

     

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