COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL469709
Chemical Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylacetyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
Smiles: O=C(N1CCN(CC1)C(=O)Cc1ccc2c(c1)OCCCO2)CCCc1c[nH]c2c1cccc2

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Molecular Weight: 461.56
Empirical Formula: C27H31N3O4

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.342
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 5

     

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