Chemical Component Summary

Name(1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one
Identifiers(2'S,3R)-2'-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-2H-indazol-6-yl]-5-methoxy-spiro[1H-indole-3,1'-cyclopropane]-2-one
FormulaC29 H28 N4 O2
Molecular Weight464.558
TypeNON-POLYMER
Isomeric SMILESCN(C)Cc1ccc(cc1)/C=C/c2c3ccc(cc3n[nH]2)[C@@H]4C[C@]45c6cc(ccc6NC5=O)OC
InChIInChI=1S/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/m0/s1
InChIKeyDKVKUPRCFKTRIY-IRIFPNPLSA-N

Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count2
Bond Count68
Aromatic Bond Count22

Related Resource References

Resource NameReference
Pharos CHEMBL3353348
PubChem 58486384
ChEMBL CHEMBL3353348