COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044532
Chemical Name: ethyl4-{[(1Z)-5-oxo-4-(prop-2-en-1-yl)-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1(2H)-ylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=c/1\[nH]nc2n1c1sc3c(c1c(=O)n2CC=C)CCC3

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Molecular Weight: 435.51
Empirical Formula: C22H21N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.606
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 114
Number of rings: 5

     

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