COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK613515
Chemical Name: 2-[(1Z,3R)-5-methyl-2-oxo-1-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)hexan-3-yl]-1H-isoindole-1,3(2H)-dione
Smiles: CC(C[C@@H](N1C(=O)c2c(C1=O)cccc2)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2)C

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Molecular Weight: 460.53
Empirical Formula: C27H28N2O5

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 5.316
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 5

     

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