COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132808
Chemical Name: 11-(4-butoxyphenyl)-10-hexanoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCCC(=O)N1C(c2ccc(cc2)OCCCC)C2=C(Nc3c1cccc3)CC(CC2=O)(C)C

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Molecular Weight: 488.67
Empirical Formula: C31H40N2O3

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 7.478
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 58
Number of rings: 4

     

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