COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053398
Chemical Name: methyl4,5-dimethyl-2-[(8S,8aR,11aS)-8-[(4-nitrophenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]thiophene-3-carboxylate
Smiles: COC(=O)c1c(sc(c1C)C)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)[N+](=O)[O-])C=Cc2c1cccc2

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Molecular Weight: 557.58
Empirical Formula: C29H23N3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.187
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 158
Number of rings: 6

     

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