COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL523919
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-{4-[(4-bromo-10-methoxy-7-methyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-h][3]benzazepin-8-yl)carbonyl]phenyl}prop-2-enamide
Smiles: COc1c2C=C(N(CCc2c(c2c1OCO2)Br)C)C(=O)c1ccc(cc1)NC(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 605.44
Empirical Formula: C30H25BrN2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.033
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 95
Number of rings: 6

     

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