COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL265401
Chemical Name: N-[(2Z)-4-(3-nitrophenyl)-3-phenyl-1,3-thiazol-2(3H)-ylidene]-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
Smiles: [O-][N+](=O)c1cccc(c1)c1cs/c(=N\c2ccc(cc2)c2nnc3n2CCCCC3)/n1c1ccccc1

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Saltdata: HBr
Molecular Weight: 508.6
Empirical Formula: C28H24N6O2S

Available Amount: 0 mg

Lipinsky:
logP: 7.694
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 117
Number of rings: 6

     

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