COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538675
Chemical Name: 2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(2E)-4-ethyl-5-methyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: CCc1[nH]/c(=N\C(=O)CN2C(=O)C3CCCN3C(=O)c3c2cccc3)/sc1C

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Molecular Weight: 398.49
Empirical Formula: C20H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.214
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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