PQIP (Q27162600)

CHEMBL249295 (English)

19 October 2016

chemical formula

C₃₀H₃₁N₇

1 reference

stated in

RCSB protein data bank

PDB ligand ID

D94

16 February 2021

canonical SMILES

CN1CCN(CC1)C2(CC(C2)(C3=NC(C=4C=CC=5C=CC(C6=CC=CC=C6)=NC5C4)=C7C(=N)NC=CN73)[H])[H]

1 reference

PQIP (English)

19 October 2016

CN1CCN(CC1)[C@@]2(C[C@@](C2)(C3=NC(C=4C=CC=5C=CC(C6=CC=CC=C6)=NC5C4)=C7C(=N)NC=CN73)[H])[H]

1 reference

PQIP (English)

InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+

19 October 2016

Identifiers

InChI

1 reference

PDJARQSWGDDFHH-PSWAGMNNSA-N

PQIP (English)

19 October 2016

2 references

PQIP (English)

19 October 2016

ChEBI release 2020-09-01

1 reference

3-[cis-3-(4-Methyl-1-piperazinyl)cyclobutyl]-1-(2-phenyl-7-quinolinyl)imidazo[1,5-a]pyrazin-8-amine (English)

19 October 2016

Reaxys registry number

12923638

1 reference

PQIP (English)

19 October 2016

12423292

1 reference

PQIP (English)

19 October 2016

mapping relation type

2 references

PQIP (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+

1 reference

CHEMBL249295 (English)

19 October 2016

0 references

1 reference

3D94 (English)