COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK723632
Chemical Name: 1-(3-nitro-4-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}phenyl)ethanone
Smiles: [O-][N+](=O)c1cc(ccc1Sc1nnc2c(n1)n(C(C)C)c1c2cccc1)C(=O)C

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Molecular Weight: 407.45
Empirical Formula: C20H17N5O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.629
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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