COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK575963
Chemical Name: ethyl4-[(8S,8aR,11aS)-8-(furan-2-ylcarbonyl)-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=C1)C(=O)c1ccco1

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Molecular Weight: 482.49
Empirical Formula: C28H22N2O6

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 4.251
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 97
Number of rings: 6

     

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