Chemical Components in the PDB

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YKC : Summary

Code

YKC

One-letter code

X

Molecule name

N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL-ISONICOTINAMIDE

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
OpenEye OEToolkits 1.7.2 N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide

Formula

C25 H17 N5 O

Formal charge

0

Molecular weight

403.435 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ccncc1)NC6c2ccccc2c5c6cccc5c4nc3ccncc3n4
SMILES CACTVS 3.370 O=C(N[CH]1c2ccccc2c3c1cccc3c4[nH]c5cnccc5n4)c6ccncc6
SMILES OpenEye OEToolkits 1.7.2 c1ccc2c(c1)-c3c(cccc3C2NC(=O)c4ccncc4)c5[nH]c6cnccc6n5
Canonical SMILES CACTVS 3.370 O=C(N[C@@H]1c2ccccc2c3c1cccc3c4[nH]c5cnccc5n4)c6ccncc6
Canonical SMILES OpenEye OEToolkits 1.7.2 c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccncc4)c5[nH]c6cnccc6n5

IUPAC InChI

InChI=1S/C25H17N5O/c31-25(15-8-11-26-12-9-15)30-23-17-5-2-1-4-16(17)22-18(23)6-3-7-19(22)24-28-20-10-13-27-14-21(20)29-24/h1-14,23H,(H,28,29)(H,30,31)/t23-/m1/s1

IUPAC InChI key

NEEVLWIWDHBTEB-HSZRJFAPSA-N
YKC

wwPDB Information

Atom count

48 (31 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2011-05-26

Last modified at

2011-10-14

Status

Released

Obsoleted

Not Assigned