COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539954
Chemical Name: (8S,8aR,11aS,11bS)-8-[(4-bromophenyl)carbonyl]-10-(4-butoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)c1ccc(cc1)Br

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Molecular Weight: 571.47
Empirical Formula: C31H27BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.165
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 66
Number of rings: 6

     

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