COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL387349
Chemical Name: (2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1OC)[N+](=O)[O-])/Sc1nc2c(s1)cccc2

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Molecular Weight: 435.48
Empirical Formula: C21H13N3O4S2

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 6.817
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 158
Number of rings: 4

     

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