COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054888
Chemical Name: (8S,8aR,11aS)-N-(2-chloro-5-nitrophenyl)-10-(4-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2cc(ccc2Cl)[N+](=O)[O-])C=Cc2c1cccc2

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Molecular Weight: 549.37
Empirical Formula: C27H18Cl2N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.175
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 6

     

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