COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK754104
Chemical Name: 2-amino-4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1cc(ccc1Cl)[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 373.8
Empirical Formula: C18H16ClN3O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.762
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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