COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK513717
Chemical Name: [(5E)-3-[(amino-kappaN)(methylsulfanyl)methylidene]-6-(dimethylamino)hex-5-ene-2,4-dionato-kappaO~4~](diphenyl)boron
Smiles: CSC1=C(C(=O)C)C(=[O+][B-](N1)(c1ccccc1)c1ccccc1)/C=C/N(C)C

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Molecular Weight: 392.33
Empirical Formula: C22H25BN2O2S

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 57
Number of rings: 3

     

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