COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK603017
Chemical Name: 1-[1-hydroxy-3,3-dimethyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butan-1-one
Smiles: CCCC(=O)N1C(c2cc(OC)c(c(c2)OC)OC)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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Molecular Weight: 478.59
Empirical Formula: C28H34N2O5

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.208
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 4

     

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