COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK006444
Chemical Name: 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CC(CC(=O)N1C(c2ccc(cc2)N(C)C)C2=C(Nc3c1cccc3)CC(CC2=O)(C)C)C

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Molecular Weight: 445.6
Empirical Formula: C28H35N3O2

Physical State: Dry powder
Available Amount: 463 mg

Lipinsky:
logP: 5.363
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 4

     

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