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Search term: IIJUQWOGZFHFTN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,7S,8R)-4-Amino-10-[5-(6-bromo-1H-indol-3-yl)-6-oxo-1,6-dihydro-2-pyrazinyl]-1-hydroxy-7-methyl-3,5,12-triazatetracyclo[6.6.1.0~2,6~.0~9,13~]pentadeca-2(6),3,10-trien-14-one | C25H22BrN7O3

(1S,7S,8R)-4-Amino-10-[5-(6-bromo-1H-indol-3-yl)-6-oxo-1,6-dihydro-2-pyrazinyl]-1-hydroxy-7-methyl-3,5,12-triazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,10-trien-14-one

  • Molecular FormulaC25H22BrN7O3
  • Average mass548.391 Da
  • Monoisotopic mass547.096741 Da
  • ChemSpider ID404799

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,7S,8R)-4-Amino-10-[5-(6-brom-1H-indol-3-yl)-6-oxo-1,6-dihydro-2-pyrazinyl]-1-hydroxy-7-methyl-3,5,12-triazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,10-trien-14-on [German] [ACD/IUPAC Name]
(1S,7S,8R)-4-Amino-10-[5-(6-bromo-1H-indol-3-yl)-6-oxo-1,6-dihydro-2-pyrazinyl]-1-hydroxy-7-methyl-3,5,12-triazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,10-trien-14-one [ACD/IUPAC Name]
(1S,7S,8R)-4-Amino-10-[5-(6-bromo-1H-indol-3-yl)-6-oxo-1,6-dihydro-2-pyrazinyl]-1-hydroxy-7-méthyl-3,5,12-triazatétracyclo[6.6.1.02,6.09,13]pentadéca-2(6),3,10-trién-14-one [French] [ACD/IUPAC Name]
4,9-Methanopyrrolo[2',3':5,6]cyclooct[1,2-d]imidazol-5(1H)-one, 2-amino-8-[5-(6-bromo-1H-indol-3-yl)-1,6-dihydro-6-oxo-2-pyrazinyl]-4,5a,6,8a,9,10-hexahydro-4-hydroxy-10-methyl-, (4S,9R,10S)- [ACD/Index Name]
dragmacidin F

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS021798 [DBID]
AIDS-021798 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.958
Molar Refractivity: 130.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 0.68
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 161 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 90.7±7.0 dyne/cm
Molar Volume: 268.8±7.0 cm3

Click to predict properties on the Chemicalize site


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