(Q27088334)

952021-60-2 (English)

3 October 2016

chemical formula

C₂₂H₂₅N₇O₂

1 reference

952021-60-2 (English)

3 October 2016

canonical SMILES

CN1C=C(C=N1)C2=NC3=C4C2=CNNC(=O)C4=CC(=C3)NC(=O)C(C5CCCCC5)N

1 reference

952021-60-2 (English)

3 October 2016

isomeric SMILES

CN1C=C(C=N1)C2=NC3=C4C2=CNNC(=O)C4=CC(=C3)NC(=O)[C@@H](C5CCCCC5)N

1 reference

952021-60-2 (English)

InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,24H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1

3 October 2016

Identifiers

InChI

1 reference

952021-60-2 (English)

YFNWWNRZJGMDBR-LJQANCHMSA-N

3 October 2016

InChIKey

2 references

952021-60-2 (English)

3 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2-Amino-2-cyclohexyl-N-[2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-4H-[1,2]diazepino[4,5,6-cd]indol-8-yl]acetamide (English)

3 October 2016

1 reference

952021-60-2 (English)

3 October 2016

ChEBI ID

91385

mapping relation type

2 references

LSM-1112 (English)

matched by identifier from

3 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,24H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1

Guide to Pharmacology Ligand ID

8043

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8043