COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL399442
Chemical Name: 3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: Clc1ccc(c(c1)Cl)Cn1nc(c(c1C)NC(=O)C12CC3CC(C1)CC(C2)(C3)n1nc(nc1Br)[N+](=O)[O-])C

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Molecular Weight: 623.34
Empirical Formula: C25H26BrCl2N7O3

Physical State: Dry powder
Available Amount: 21 mg

Lipinsky:
logP: 6.031
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 123
Number of rings: 7

     

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