COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK965838
Chemical Name: N-[(2E)-4-(1,3-benzodioxol-5-yl)-3-(prop-2-en-1-yl)-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: C=CCn1/c(=N\c2ccc(cc2)c2nnc3n2CCCCC3)/scc1c1ccc2c(c1)OCO2

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Saltdata: HBr
Molecular Weight: 471.58
Empirical Formula: C26H25N5O2S

Available Amount: 0 mg

Lipinsky:
logP: 6.514
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 90
Number of rings: 6

     

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