COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681512
Chemical Name: N-[(2E)-4-(biphenyl-4-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)/scc1c1ccc(cc1)c1ccccc1

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Saltdata: HBr
Molecular Weight: 503.67
Empirical Formula: C31H29N5S

Available Amount: 0 mg

Lipinsky:
logP: 8.23
Rotatable bonds: 2
H-donors: 0
H-acceptors: 0
PSA: 71
Number of rings: 6

     

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