Chemical Components in the PDB

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1M1 : Summary

Code

1M1

One-letter code

X

Molecule name

(6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline

Systematic names

ProgramVersionName
ACDLabs 12.01 (6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
OpenEye OEToolkits 1.7.6 (6R)-6-pyridin-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

Formula

C19 H14 N4

Formal charge

0

Molecular weight

298.341 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2c1c(cccc1)n4c2c5c(NC4c3ncccc3)cccc5
SMILES CACTVS 3.370 N1[CH](n2c3ccccc3nc2c4ccccc14)c5ccccn5
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)-c3nc4ccccc4n3C(N2)c5ccccn5
Canonical SMILES CACTVS 3.370 N1[C@H](n2c3ccccc3nc2c4ccccc14)c5ccccn5
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5

IUPAC InChI

InChI=1S/C19H14N4/c1-2-8-14-13(7-1)18-22-15-9-3-4-11-17(15)23(18)19(21-14)16-10-5-6-12-20-16/h1-12,19,21H/t19-/m1/s1

IUPAC InChI key

ZMZZAQWHHFSQPH-LJQANCHMSA-N
1M1

wwPDB Information

Atom count

37 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-03-26

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned