Chemical Components in the PDB

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WZM : Summary

Code

WZM

One-letter code

X

Molecule name

6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
OpenEye OEToolkits 2.0.7 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide

Formula

C10 H14 N4 O

Formal charge

0

Molecular weight

206.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(ccc(nn1)N(C)C2CCC2)C(=O)N
SMILES CACTVS 3.385 CN(C1CCC1)c2ccc(nn2)C(N)=O
SMILES OpenEye OEToolkits 2.0.7 CN(c1ccc(nn1)C(=O)N)C2CCC2
Canonical SMILES CACTVS 3.385 CN(C1CCC1)c2ccc(nn2)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(c1ccc(nn1)C(=O)N)C2CCC2

IUPAC InChI

InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15)

IUPAC InChI key

ASDJKAINAVUHGV-UHFFFAOYSA-N
WZM

wwPDB Information

Atom count

29 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-11-19

Last modified at

2021-06-25

Status

Released

Obsoleted

Not Assigned