Chemical Components in the PDB

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3ZC : Summary

Code

3ZC

One-letter code

X

Molecule name

6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide
OpenEye OEToolkits 1.7.6 6-[7-[(1-azanylcyclopropyl)methoxy]-6-methoxy-quinolin-4-yl]oxy-N-methyl-naphthalene-1-carboxamide

Formula

C26 H25 N3 O4

Formal charge

0

Molecular weight

443.494 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NC)c5cccc4cc(Oc2c3cc(OC)c(OCC1(N)CC1)cc3ncc2)ccc45
SMILES CACTVS 3.385 CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
SMILES OpenEye OEToolkits 1.7.6 CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC
Canonical SMILES CACTVS 3.385 CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
Canonical SMILES OpenEye OEToolkits 1.7.6 CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC

IUPAC InChI

InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)

IUPAC InChI key

CUDVHEFYRIWYQD-UHFFFAOYSA-N
3ZC

wwPDB Information

Atom count

58 (33 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-12-12

Last modified at

2015-04-10

Status

Released

Obsoleted

Not Assigned