COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL115178
Chemical Name: (2E,9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-2-(3-nitrobenzylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Smiles: Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cccc(c1)[N+](=O)[O-])/s3)/C(=C/c1ccc(cc1)Cl)/CCC2

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Molecular Weight: 574.49
Empirical Formula: C30H21Cl2N3O3S

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 8.341
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 103
Number of rings: 6

     

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