COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549606
Chemical Name: 1-[9-hydroxy-10-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylbutyl)-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl]ethanone
Smiles: COc1cc(cc2c1OCCO2)C1C2=C(O)N(CC2=Nc2c3c1cn(c3ccc2)CCC(C)C)C(=O)C

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Molecular Weight: 501.58
Empirical Formula: C29H31N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.68
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 85
Number of rings: 6

     

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