(Q27166787)

Tipifarnib (S enantiomer) (English)

10 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₂Cl₂N₄O

1 reference

Tipifarnib (S enantiomer) (English)

10 October 2016

canonical SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N

1 reference

Tipifarnib (S enantiomer) (English)

10 October 2016

isomeric SMILES

CN1C=NC=C1[C@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N

1 reference

Tipifarnib (S enantiomer) (English)

InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m0/s1

10 October 2016

Identifiers

InChI

1 reference

Tipifarnib (S enantiomer) (English)

PLHJCIYEEKOWNM-MHZLTWQESA-N

10 October 2016

InChIKey

2 references

Tipifarnib (S enantiomer) (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-[(S)-Amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone (English)

10 October 2016

2 references

Tipifarnib (S enantiomer) (English)

matched by identifier from

10 October 2016

InChIKey

PLHJCIYEEKOWNM-MHZLTWQESA-N

ChEBI ID

95025

mapping relation type

2 references

6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4-imidazolyl)methyl]-4-(3-chlorophenyl)-1-methyl-2-quinolinone (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m0/s1

1 reference