COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL115189
Chemical Name: (2E,9E)-9-[4-(dimethylamino)benzylidene]-5-[4-(dimethylamino)phenyl]-2-(4-nitrobenzylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Smiles: CN(c1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(cc1)[N+](=O)[O-])/s3)/C(=C/c1ccc(cc1)N(C)C)/CCC2)C

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Molecular Weight: 591.73
Empirical Formula: C34H33N5O3S

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 7.715
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 110
Number of rings: 6

     

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