Chemical Components in the PDB

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C3Z : Summary

Code

C3Z

One-letter code

X

Molecule name

3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol

Formula

C23 H18 N4 O

Formal charge

0

Molecular weight

366.415 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5
Canonical SMILES CACTVS 3.385 Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5

IUPAC InChI

InChI=1S/C23H18N4O/c28-23-15-21-18(20(25-26-21)13-16-7-3-1-4-8-16)14-19(23)22-11-12-24-27(22)17-9-5-2-6-10-17/h1-12,14-15,28H,13H2,(H,25,26)

IUPAC InChI key

XBGRZWVCOXMUCW-UHFFFAOYSA-N
C3Z

wwPDB Information

Atom count

46 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-11-11

Last modified at

2018-05-25

Status

Released

Obsoleted

Not Assigned