COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044881
Chemical Name: 11-(3,4-dichlorophenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCC(=O)N1C(c2ccc(c(c2)Cl)Cl)C2=C(Nc3c1cccc3)CCCC2=O

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Molecular Weight: 415.32
Empirical Formula: C22H20Cl2N2O2

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 4.407
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 49
Number of rings: 4

     

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