PRD_002132

(3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM

PRD_002132 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4WVU.

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Chemical Component Summary

Name(3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
Identifiersn/a
FormulaC37 H47 N9 O7
Molecular Weight729.825
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc3ccc(cc3)NC(=O)CCc4cn2nn4)C(=O)O)Cc5ccccc5)NC
InChIInChI=1S/C37H47N9O7/c1-21(2)32(42-33(48)22(3)38-4)36(51)45-20-27-18-30(45)35(50)40-28(16-23-8-6-5-7-9-23)34(49)41-29(37(52)53)17-24-10-12-25(13-11-24)39-31(47)15-14-26-19-46(27)44-43-26/h5-13,19,21-22,27-30,32,38H,14-18,20H2,1-4H3,(H,39,47)(H,40,50)(H,41,49)(H,42,48)(H,52,53)/t22-,27-,28-,29-,30-,32-/m0/s1
InChIKeyNYEKMUKTEVUDDH-PDKMNWOWSA-N
CompositionPolymer Sequences: MAA-VAL-3V8-PHE-HOX
BIRD classANTAGONIST
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count100
Chiral Atom Count6
Bond Count104
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL3414718
PubChem 71528757
ChEMBL CHEMBL3414718