ZR4

7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Created:2021-05-21
Last modified:  2021-11-17

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count5
Bond Count46
Aromatic Bond Count16
2D diagram of ZR4

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(~{R})-(4-chloranyl-3-fluoranyl-phenyl)-oxidanyl-methyl]oxolane-3,4-diol
FormulaC17 H16 Cl F N4 O4
Molecular Weight394.785
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1F)C(O)C1OC(n2ccc3c(N)ncnc32)C(O)C1O
SMILESCACTVS3.385Nc1ncnc2n(ccc12)[CH]3O[CH]([CH](O)[CH]3O)[CH](O)c4ccc(Cl)c(F)c4
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C(C2C(C(C(O2)n3ccc4c3ncnc4N)O)O)O)F)Cl
Canonical SMILESCACTVS3.385 Nc1ncnc2n(ccc12)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)[C@H](O)c4ccc(Cl)c(F)c4
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(c(cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O)F)Cl
InChIInChI1.03 InChI=1S/C17H16ClFN4O4/c18-9-2-1-7(5-10(9)19)11(24)14-12(25)13(26)17(27-14)23-4-3-8-15(20)21-6-22-16(8)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1
InChIKeyInChI1.03 GTCYWLXMJRCJNE-QFRSUPTLSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4441584
PubChem 122497021
ChEMBL CHEMBL4441584