Chemical Components in the PDB

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Z46 : Summary

Code

Z46

One-letter code

X

Molecule name

(5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

Systematic names

ProgramVersionName
ACDLabs 12.01 (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
OpenEye OEToolkits 1.7.0 (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

Formula

C11 H18 N4 O

Formal charge

0

Molecular weight

222.287 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1nnc2c1CC(CC2)CCC)NN
SMILES CACTVS 3.370 CCC[CH]1CCc2[nH]nc(C(=O)NN)c2C1
SMILES OpenEye OEToolkits 1.7.0 CCCC1CCc2c(c(n[nH]2)C(=O)NN)C1
Canonical SMILES CACTVS 3.370 CCC[C@@H]1CCc2[nH]nc(C(=O)NN)c2C1
Canonical SMILES OpenEye OEToolkits 1.7.0 CCC[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1

IUPAC InChI

InChI=1S/C11H18N4O/c1-2-3-7-4-5-9-8(6-7)10(15-14-9)11(16)13-12/h7H,2-6,12H2,1H3,(H,13,16)(H,14,15)/t7-/m1/s1

IUPAC InChI key

WRCCTRXGCPABER-SSDOTTSWSA-N
Z46

wwPDB Information

Atom count

34 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-04-15

Last modified at

2012-08-03

Status

Released

Obsoleted

Not Assigned