8RZ

(1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide

Created: 2017-02-28
Last modified:  2017-06-28

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count3
Bond Count59
Aromatic Bond Count16
2D diagram of 8RZ
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Chemical Component Summary

Name(1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
Systematic Name (OpenEye OEToolkits)(1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
FormulaC23 H20 F3 N5 O4
Molecular Weight487.431
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385NC(=O)n1cc(NC(=O)N2[CH]3C[CH]3C[CH]2C(=O)Nc4cccc(OC(F)(F)F)c4)c5ccccc15
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C4CC4CC3C(=O)Nc5cccc(c5)OC(F)(F)F
Canonical SMILESCACTVS3.385 NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc4cccc(OC(F)(F)F)c4)c5ccccc15
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(c5)OC(F)(F)F
InChIInChI1.03 InChI=1S/C23H20F3N5O4/c24-23(25,26)35-14-5-3-4-13(10-14)28-20(32)19-9-12-8-18(12)31(19)22(34)29-16-11-30(21(27)33)17-7-2-1-6-15(16)17/h1-7,10-12,18-19H,8-9H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-,19+/m1/s1
InChIKeyInChI1.03 VERSLSAMPJEQIQ-DPMMWBKBSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4065529
PubChem 71009649
ChEMBL CHEMBL4065529