COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK769981
Chemical Name: 1-(4-bromophenyl)-3-(3-chlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
Smiles: Brc1ccc(cc1)N(C(=O)Nc1cccc(c1)Cl)Cc1nnc2n1CCCCC2

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Molecular Weight: 474.79
Empirical Formula: C21H21BrClN5O

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.17
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 63
Number of rings: 4

     

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