FAIRMol Sign in

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.
Open analysis
Compounds 144 Samples 0
Search Workspace

Chemical search

Build a query, refine the result set, and sketch a structure without leaving the page.
Clear
Threshold 0.50

Properties

Reset all

Results

6 results for Pattern / motif query
Pattern / motif 6 results DB demo
Selected 0
Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.
Query interpretation
Pattern registry Vnos: pipecolinic_ring Pipecolinyl ring
ID 110 DB demo
2D structure

KB_HAT_118

ID 110

NC(=O)c1ncc(N[C@@H]2CCC[NH2+]C2)nc1Nc1cccc(Cl)c1

Formula: C16H20ClN6O+

MW: 347.83 | LogP: 1.11

TPSA: 109.54

Patterns:

Pipecolinyl ring
Detail
ID 710 DB demo
2D structure

Z79567126

ID 710

Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C

Formula: C21H25N5O3S2

MW: 459.60 | LogP: 2.49

TPSA: 118.28

Patterns:

Pipecolinyl ring
Detail
ID 1399 DB demo
2D structure

OHD_TC1_194

ID 1399

COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC

Formula: C30H32N4O5S

MW: 560.68 | LogP: 4.23

TPSA: 101.40

Patterns:

Pipecolinyl ring
Detail
ID 2025 DB demo
2D structure

Z1269163651

ID 2025

OCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

Formula: C8H18NO5+

MW: 208.23 | LogP: -4.68

TPSA: 105.59

Patterns:

Pipecolinyl ring
Detail
ID 3052 DB demo
2D structure

KB_chagas_52

ID 3052

COc1ccc2nccc([C@H](O)CN3CC[C@H](NC(=O)c4ccc(Br)cc4)[C@@H](O)C3)c2n1

Formula: C23H25BrN4O4

MW: 501.38 | LogP: 2.30

TPSA: 107.81

Patterns:

Pipecolinyl ring
Detail
ID 3843 DB demo
2D structure

KB_chagas_219

ID 3843

FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)nc2ncnn12

Formula: C20H20F3N6+

MW: 401.42 | LogP: 2.59

TPSA: 63.31

Patterns:

Pipecolinyl ring
Detail