COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL304933
Chemical Name: 3-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(4-bromophenyl)carbonyl]amino}prop-2-enoyl]amino}propylacetate
Smiles: CC(=O)OCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccc(cc1)Br

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Molecular Weight: 489.32
Empirical Formula: C22H21BrN2O6

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 3.26
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 102
Number of rings: 3

     

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