COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044452
Chemical Name: (1Z)-1-[(4-methoxyphenyl)imino]-4-(prop-2-en-1-yl)-2,4,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Smiles: C=CCn1c2n[nH]/c(=N\c3ccc(cc3)OC)/n2c2c(c1=O)c1CCCCc1s2

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Molecular Weight: 407.5
Empirical Formula: C21H21N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.11
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 97
Number of rings: 5

     

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