COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL131953
Chemical Name: (9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-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\1/SC(=C(S1)c1ccccc1)c1ccccc1)/s3)/C(=C/c1ccc(cc1)Cl)/CCC2

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Molecular Weight: 693.74
Empirical Formula: C38H26Cl2N2OS3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 11.377
Rotatable bonds: 0
H-donors: 0
H-acceptors: 1
PSA: 108
Number of rings: 8

     

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