N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid (Q27452165)

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chemical compound

ONX-0801

Language	Label	Description	Also known as
English	N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid	chemical compound	ONX-0801

Statements

type of chemical entity

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chemical compound

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chemical structure

ONX-0801 structure.png
920 × 496; 38 KB

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647.223±0 dalton

1 reference

language of work or name

SCHEMBL10067675 (English)

19 October 2016

chemical formula

C₃₂H₃₃N₅O₁₀

1 reference

language of work or name

SCHEMBL10067675 (English)

19 October 2016

canonical SMILES

C#CCN(C1CCC2=C1C=C3C(=C2)NC(=NC3=O)CO)C4=CC=C(C=C4)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O

1 reference

language of work or name

SCHEMBL10067675 (English)

19 October 2016

isomeric SMILES

C#CCN([C@H]1CCC2=C1C=C3C(=C2)NC(=NC3=O)CO)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O

1 reference

language of work or name

SCHEMBL10067675 (English)

19 October 2016

Identifiers

InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1

2 references

language of work or name

SCHEMBL10067675 (English)

19 October 2016

https://pubchem.ncbi.nlm.nih.gov/compound/11671880

April 2018

NVHRBQOZEMFKLD-CUYJMHBOSA-N

1 reference

language of work or name

SCHEMBL10067675 (English)

19 October 2016

CAS Registry Number

1 reference

NVHRBQOZEMFKLD-CUYJMHBOSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=501332-69-0

1 reference

language of work or name

N-(4-{[(6S)-2-(Hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](2-propyn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid (English)

19 October 2016

1 reference

language of work or name

SCHEMBL10067675 (English)

19 October 2016

1 reference

matched by identifier from

NVHRBQOZEMFKLD-CUYJMHBOSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1

DSSTox substance ID

DTXSID701337116

1 reference

matched by identifier from

NVHRBQOZEMFKLD-CUYJMHBOSA-N

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

1 reference

matched by identifier from

NVHRBQOZEMFKLD-CUYJMHBOSA-N

Probes And Drugs ID

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Google Knowledge Graph ID

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PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4ISK (English)

19 October 2016

Sitelinks

Wikipedia(1 entry)

enwiki ONX-0801

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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