COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL268213
Chemical Name: 1-(1,3-benzodioxol-5-yl)-3-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
Smiles: O=C(N(c1ccc2c(c1)OCO2)Cc1nnc2n1CCCCC2)Nc1ccccc1

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Molecular Weight: 405.46
Empirical Formula: C22H23N5O3

Available Amount: 0 mg

Lipinsky:
logP: 3.145
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 5

     

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