Chemical Components in the PDB

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K2C : Summary

Code

K2C

One-letter code

X

Molecule name

6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one

Systematic names

ProgramVersionName
ACDLabs 10.04 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one

Formula

C20 H13 N3 O

Formal charge

0

Molecular weight

311.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C5c4c1c6c(nc1c3c(c2ccccc2n3)c4CN5)cccc6
SMILES CACTVS 3.341 O=C1NCc2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4
Canonical SMILES CACTVS 3.341 O=C1NCc2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4

IUPAC InChI

InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)

IUPAC InChI key

MEXUTNIFSHFQRG-UHFFFAOYSA-N
K2C

wwPDB Information

Atom count

37 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-09-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned