Chemical Components in the PDB

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S9C : Summary

Code

S9C

One-letter code

X

Molecule name

7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole

Systematic names

ProgramVersionName
OpenEye OEToolkits 3.1.0.0 7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole

Formula

C16 H10 F N3

Formal charge

0

Molecular weight

263.269 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Fc1ccc(cn1)c2ccc3c([nH]c4ccncc34)c2
SMILES OpenEye OEToolkits 3.1.0.0 c1cc2c(cc1c3ccc(nc3)F)[nH]c4c2cncc4
Canonical SMILES CACTVS 3.385 Fc1ccc(cn1)c2ccc3c([nH]c4ccncc34)c2
Canonical SMILES OpenEye OEToolkits 3.1.0.0 c1cc2c(cc1c3ccc(nc3)F)[nH]c4c2cncc4

IUPAC InChI

InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H

IUPAC InChI key

GETAAWDSFUCLBS-UHFFFAOYSA-N
S9C

wwPDB Information

Atom count

30 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-12-14

Last modified at

2023-01-06

Status

Released

Obsoleted

Not Assigned