COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK937542
Chemical Name: 3,7-bis{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: C/C(=C/CSc1nnc2n1c1sc3c(c1c1n2c(SC/C=C(\Cl)/C)nn1)CCCC3)/Cl

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Molecular Weight: 511.52
Empirical Formula: C20H20Cl2N6S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.058
Rotatable bonds: 6
H-donors: 0
H-acceptors: 0
PSA: 139
Number of rings: 5

     

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