Chemical Components in the PDB

pdbe.org/chem
spacer

LEV : Summary

Code

LEV

One-letter code

X

Molecule name

4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide

Synonyms

lenvatinib

Systematic names

ProgramVersionName
ACDLabs 12.01 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide
OpenEye OEToolkits 1.7.6 4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide

Formula

C21 H19 Cl N4 O4

Formal charge

0

Molecular weight

426.853 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COc2cc1nccc(c1cc2C(N)=O)Oc3cc(c(cc3)NC(=O)NC4CC4)Cl
SMILES CACTVS 3.385 COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
SMILES OpenEye OEToolkits 1.7.6 COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4
Canonical SMILES CACTVS 3.385 COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4

IUPAC InChI

InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)

IUPAC InChI key

WOSKHXYHFSIKNG-UHFFFAOYSA-N
LEV

wwPDB Information

Atom count

49 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

2014-09-26

Last modified at

2015-05-22

Status

Released

Obsoleted

Not Assigned