Chemical Components in the PDB

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5SL : Summary

Code

5SL

One-letter code

X

Molecule name

~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 ~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine

Formula

C20 H21 N7 O

Formal charge

0

Molecular weight

375.427 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc(Cc2noc(n2)[CH]3CC[CH](C3)Nc4ncnc5[nH]ncc45)cc1
SMILES OpenEye OEToolkits 2.0.4 Cc1ccc(cc1)Cc2nc(on2)C3CCC(C3)Nc4c5cn[nH]c5ncn4
Canonical SMILES CACTVS 3.385 Cc1ccc(Cc2noc(n2)[C@H]3CC[C@@H](C3)Nc4ncnc5[nH]ncc45)cc1
Canonical SMILES OpenEye OEToolkits 2.0.4 Cc1ccc(cc1)Cc2nc(on2)[C@H]3CC[C@@H](C3)Nc4c5cn[nH]c5ncn4

IUPAC InChI

InChI=1S/C20H21N7O/c1-12-2-4-13(5-3-12)8-17-25-20(28-27-17)14-6-7-15(9-14)24-18-16-10-23-26-19(16)22-11-21-18/h2-5,10-11,14-15H,6-9H2,1H3,(H2,21,22,23,24,26)/t14-,15-/m0/s1

IUPAC InChI key

JTKNIJDRSHYXLX-GJZGRUSLSA-N
5SL

wwPDB Information

Atom count

49 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-11-23

Last modified at

2016-02-26

Status

Released

Obsoleted

Not Assigned