COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004124
Chemical Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone
Smiles: O=C(N1c2ccccc2CCc2c1cccc2)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

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Saltdata: 2HCI
Molecular Weight: 455.56
Empirical Formula: C28H29N3O3

Physical State: Dry powder
Available Amount: 351 mg

Lipinsky:
logP: 3.701
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 45
Number of rings: 6

     

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