COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002595
Chemical Name: N-{(1Z)-1-(1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-4-bromobenzamide
Smiles: OCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccc(cc1)Br

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Molecular Weight: 447.29
Empirical Formula: C20H19BrN2O5

Physical State: Dry powder
Available Amount: 585 mg

Lipinsky:
logP: 2.364
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 96
Number of rings: 3

     

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