COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK659888
Chemical Name: 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1n2nc(n3c2c(c1c1ccccc1)CCCC3)c1ccc(cc1)Br

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Molecular Weight: 545.87
Empirical Formula: C28H22BrClN4O

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 8.122
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 51
Number of rings: 6

     

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