COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016247
Chemical Name: 3-(4-fluorophenyl)-11-(thiophen-2-yl)-10-[(3,4,5-trimethoxyphenyl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1c(OC)cc(cc1OC)C(=O)N1c2ccccc2NC2=C(C1c1cccs1)C(=O)CC(C2)c1ccc(cc1)F

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Molecular Weight: 584.67
Empirical Formula: C33H29FN2O5S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 6.265
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 105
Number of rings: 6

     

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