COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK163890
Chemical Name: (2E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1ccc(cc1)c1nc2c(s1)cccc2)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 435.89
Empirical Formula: C22H14ClN3O3S

Physical State: Dry powder
Available Amount: 438 mg

Lipinsky:
logP: 6.425
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 4

     

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