COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015463
Chemical Name: 1-{11-[4-(dimethylamino)phenyl]-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one
Smiles: CCC(=O)N1C(c2ccc(cc2)N(C)C)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccccc1

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Molecular Weight: 465.6
Empirical Formula: C30H31N3O2

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 5.979
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 56
Number of rings: 5

     

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