COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK633576
Chemical Name: 3-[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)CCSC1CCc2c(N=C1O)cccc2

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Molecular Weight: 439.58
Empirical Formula: C24H29N3O3S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 2.726
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 4

     

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