Chemical Components in the PDB

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MLV : Summary

Code

MLV

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
ACDLabs 12.01 2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
OpenEye OEToolkits 2.0.7 2-fluoranyl-3-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 C(c1cccc(c1F)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O
SMILES CACTVS 3.385 Fc1c(cccc1c2ccccc2)C(=O)NN[S](=O)(=O)c3ccccc3
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3
Canonical SMILES CACTVS 3.385 Fc1c(cccc1c2ccccc2)C(=O)NN[S](=O)(=O)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3

IUPAC InChI

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

IUPAC InChI key

DUTMMJVUYVOSEW-UHFFFAOYSA-N
MLV

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