COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038991
Chemical Name: 1-[11-(3-butoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
Smiles: CCCCCC(=O)N1C(c2cccc(c2)OCCCC)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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Molecular Weight: 488.67
Empirical Formula: C31H40N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.341
Rotatable bonds: 10
H-donors: 1
H-acceptors: 3
PSA: 62
Number of rings: 4

     

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