COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK614344
Chemical Name: 2-(2,5-dichlorophenyl)-5-[(2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)acetyl]-1H-isoindole-1,3(2H)-dione
Smiles: Clc1ccc(c(c1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2)Cl

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Molecular Weight: 535.38
Empirical Formula: C28H20Cl2N2O5

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 4.996
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 6

     

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