COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262812
Chemical Name: 10-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,3,11-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C(N1CCN(CC1)Cc1ccccc1)CN1C(C)C2=C(Nc3c1cccc3)CC(CC2=O)(C)C

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Molecular Weight: 472.63
Empirical Formula: C29H36N4O2

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 3.463
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 55
Number of rings: 5

     

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