COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554789
Chemical Name: 4-[(8S,8aR,11aS,11bS)-9,11-dioxo-8-(phenylcarbonyl)-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)c1ccccc1

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Molecular Weight: 478.5
Empirical Formula: C29H22N2O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.228
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 83
Number of rings: 6

     

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