COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868264
Chemical Name: 11-(1,3-benzodioxol-5-yl)-3,3-dimethyl-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCC(=O)N1C(c2ccc3c(c2)OCO3)C2=C(Nc3c1cccc3)CC(CC2=O)(C)C

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Molecular Weight: 446.55
Empirical Formula: C27H30N2O4

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 5.299
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 5

     

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