COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091742
Chemical Name: 1-[(2-chloro-4-nitrophenyl)amino]-3-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}propan-2-ol
Smiles: OC(CNc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CNc1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 479.76
Empirical Formula: C16H13ClF3N5O7

Physical State: Dry powder
Available Amount: 423 mg

Lipinsky:
logP: 5.754
Rotatable bonds: 5
H-donors: 3
H-acceptors: 7
PSA: 181
Number of rings: 2

     

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