COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539037
Chemical Name: (1'R,3R,3'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-1'-[(4-bromophenyl)carbonyl]-7'-chloro-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1N2c3ccc(cc3C=CC2[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2)Cl

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Molecular Weight: 653.92
Empirical Formula: C34H22BrClN2O5

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 7.225
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 8

     

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