Chemical Components in the PDB

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L07 : Summary

Code

L07

One-letter code

X

Molecule name

2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine

Synonyms

CL075
3M-002

Systematic names

ProgramVersionName
ACDLabs 12.01 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine
OpenEye OEToolkits 1.7.6 2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

Formula

C13 H13 N3 S

Formal charge

0

Molecular weight

243.327 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2c1ccccc1c3sc(nc3c2N)CCC
SMILES CACTVS 3.370 CCCc1sc2c3ccccc3nc(N)c2n1
SMILES OpenEye OEToolkits 1.7.6 CCCc1nc2c(s1)c3ccccc3nc2N
Canonical SMILES CACTVS 3.370 CCCc1sc2c3ccccc3nc(N)c2n1
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCc1nc2c(s1)c3ccccc3nc2N

IUPAC InChI

InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)

IUPAC InChI key

NFYMGJSUKCDVJR-UHFFFAOYSA-N
L07

wwPDB Information

Atom count

30 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-01-22

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned