COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086661
Chemical Name: 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
Smiles: CCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(c(c2)OC)OC)C1c1ccc(cc1)C

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Molecular Weight: 496.61
Empirical Formula: C31H32N2O4

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 6.067
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 5

     

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