COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK582442
Chemical Name: (8S,8aR,11aS)-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-carbonitrile
Smiles: N#C[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)Cl

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Molecular Weight: 375.81
Empirical Formula: C21H14ClN3O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.004
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 64
Number of rings: 5

     

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