COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542672
Chemical Name: 4-[(8S,8aR,11aS)-8-[(4-chlorophenyl)carbamoyl]-9,11-dioxo-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)C1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)C=Cc2c1cccc2

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Molecular Weight: 527.96
Empirical Formula: C29H22ClN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.758
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 6

     

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