Chemical Components in the PDB

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MNJ : Summary

Code

MNJ

One-letter code

X

Molecule name

4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
OpenEye OEToolkits 2.0.7 2-fluoranyl-5-phenyl-~{N}'-(phenylsulfonyl)benzohydrazide

Formula

C19 H15 F N2 O3 S

Formal charge

0

Molecular weight

370.397 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1c(cccc1)c2ccc(F)c(c2)C(NNS(=O)(c3ccccc3)=O)=O
SMILES CACTVS 3.385 Fc1ccc(cc1C(=O)NN[S](=O)(=O)c2ccccc2)c3ccccc3
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F
Canonical SMILES CACTVS 3.385 Fc1ccc(cc1C(=O)NN[S](=O)(=O)c2ccccc2)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F

IUPAC InChI

InChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23)

IUPAC InChI key

MRSZFKKARPPDOC-UHFFFAOYSA-N
MNJ

wwPDB Information

Atom count

41 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-04-10

Last modified at

2019-06-28

Status

Released

Obsoleted

Not Assigned