COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043456
Chemical Name: 1-[1-hydroxy-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
Smiles: CCCCCC(=O)N1C(c2ccc(c(c2)OC)OCCC)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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Molecular Weight: 504.67
Empirical Formula: C31H40N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.632
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 4

     

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