API | quinupristin

quinupristin Report issue

Small molecule Approved ^FDA Accelerated Approval ^FDA Priority Review ^FDA

AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

1022.218

ALogP

Rule of 5

Rule of 3

Missing data

Details

SMILES: CC[C@H]1NC(=O)[C@@H](NC(=O)C2=C(O)C=CC=N2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]3CC(=O)[C@H](CS[C@@H]4CN5CCC4CC5)CN3C(=O)[C@H](CC6=CC=C(C=C6)N(C)C)N(C)C(=O)[C@@H]7CCCN7C1=O)C8=CC=CC=C8
InChIKey: WTHRRGMBUAHGNI-LCYNINFDSA-N
1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1
Chirality: Single Stereoisomer
Inorganic: No
Polymer: No

Sources

CHEMBL1200649 ChEMBL
quinupristin

23OW28RS7P NCATS
quinupristin *

Quinupristin Wikipedia

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