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30 results for Pattern / motif query
Pattern / motif 30 results DB fairmol
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: imidazopyridine Imidazo[1,2-a]pyridine
ID 53 DB fairmol
2D structure

KB_Leish_45

ID 53

Cc1nc2c(-c3ncn[nH]3)cc(NC(=O)Cc3ccccc3)cn2c1C

Formula: C19H18N6O

MW: 346.39 | LogP: 2.92

TPSA: 87.97

Patterns:

ID 627 DB fairmol
2D structure

Z1939360435

ID 627

CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12

Formula: C21H18N4O4S

MW: 422.47 | LogP: 3.37

TPSA: 102.66

Patterns:

ID 790 DB fairmol
2D structure

Z226978722

ID 790

Cc1nc2c3ccccc3nc(SCc3cn4ccccc4[nH+]3)n2n1

Formula: C18H15N6S+

MW: 347.43 | LogP: 2.95

TPSA: 61.63

Patterns:

ID 962 DB fairmol
2D structure

KB_Leish_45

ID 962

Cc1[nH+]c2c(-c3nc[nH]n3)cc(NC(=O)Cc3ccccc3)cn2c1C

Formula: C19H19N6O+

MW: 347.40 | LogP: 2.34

TPSA: 89.22

Patterns:

ID 1070 DB fairmol
2D structure

OHD_TC1_96

ID 1070

O=[N+](O)c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3ccc(Br)cc3)cc(Cl)cn12

Formula: C20H14BrClN3O4S2+

MW: 539.84 | LogP: 5.67

TPSA: 91.75

Patterns:

ID 1346 DB fairmol
2D structure

OHD_Leishmania_230

ID 1346

O=[N+](O)c1c(CS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc2c(S[C@@H]3C=CC(Cl)=CC3)cc(Cl)cn12

Formula: C21H15Cl2F3N3O5S2+

MW: 581.40 | LogP: 6.20

TPSA: 100.98

Patterns:

ID 1530 DB fairmol
2D structure

Z16042309

ID 1530

Nn1cc(-c2ccccc2)nc1SCc1cn2cc(Cl)ccc2n1

Formula: C17H14ClN5S

MW: 355.85 | LogP: 3.86

TPSA: 61.14

Patterns:

ID 1547 DB fairmol
2D structure

Z16042352

ID 1547

Nn1cc(-c2ccccc2)nc1SCc1cn2ccccc2n1

Formula: C17H15N5S

MW: 321.41 | LogP: 3.20

TPSA: 61.14

Patterns:

ID 1822 DB fairmol
2D structure

Z56776202

ID 1822

Cc1nc2ccccn2c1-c1csc(Nc2cccc(O)c2)n1

Formula: C17H14N4OS

MW: 322.39 | LogP: 4.22

TPSA: 62.45

Patterns:

ID 2102 DB fairmol
2D structure

Z226978722

ID 2102

Cc1nc2c3ccccc3nc(SCc3cn4ccccc4n3)n2n1

Formula: C18H14N6S

MW: 346.42 | LogP: 3.53

TPSA: 60.38

Patterns:

ID 2421 DB fairmol
2D structure

Z56880482

ID 2421

Cc1cccc2nc(COc3ccc4ccccc4c3Br)cn12

Formula: C19H15BrN2O

MW: 367.25 | LogP: 5.14

TPSA: 26.53

Patterns:

ID 2486 DB fairmol
2D structure

ulfkktlib_2310

ID 2486

O=C(NCc1ccccc1)c1cn2cccc(OCc3ccccc3)c2[nH+]1

Formula: C22H20N3O2+

MW: 358.42 | LogP: 3.26

TPSA: 56.88

Patterns:

ID 2622 DB fairmol
2D structure

ulfkktlib_2298

ID 2622

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cn2cccc(O)c2[nH+]1

Formula: C20H19N4O4+

MW: 379.40 | LogP: 1.45

TPSA: 109.97

Patterns:

ID 2635 DB fairmol
2D structure

ulfkktlib_2301

ID 2635

NNC(=O)c1cn2cccc(OCc3ccccc3)c2n1

Formula: C15H14N4O2

MW: 282.30 | LogP: 1.52

TPSA: 81.65

Patterns:

ID 2668 DB fairmol
2D structure

Z44915084

ID 2668

Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc([N+](=O)O)o1

Formula: C14H12N5O4+

MW: 314.28 | LogP: 1.80

TPSA: 112.21

Patterns:

ID 2712 DB fairmol
2D structure

ulfkktlib_2309

ID 2712

O=C(NCc1ccccc1)c1cn2cccc(O)c2[nH+]1

Formula: C15H14N3O2+

MW: 268.30 | LogP: 1.39

TPSA: 67.88

Patterns:

ID 2720 DB fairmol
2D structure

ulfkktlib_2307

ID 2720

O=C(NCCCO)c1cn2cccc(OCc3ccccc3)c2[nH+]1

Formula: C18H20N3O3+

MW: 326.38 | LogP: 1.44

TPSA: 77.11

Patterns:

ID 2771 DB fairmol
2D structure

Z57009571

ID 2771

COc1ccc(-c2cc3[nH+]c4ccccc4n3c(N)c2C#N)cc1

Formula: C19H15N4O+

MW: 315.36 | LogP: 3.04

TPSA: 77.59

Patterns:

ID 2809 DB fairmol
2D structure

ulfkktlib_2308

ID 2809

COC(=O)CNC(=O)c1cn2cccc(O)c2[nH+]1

Formula: C11H12N3O4+

MW: 250.23 | LogP: -0.64

TPSA: 94.18

Patterns:

ID 3171 DB fairmol
2D structure

Z16042352

ID 3171

Nn1cc(-c2ccccc2)nc1SCc1cn2ccccc2[nH+]1

Formula: C17H16N5S+

MW: 322.42 | LogP: 2.62

TPSA: 62.39

Patterns:

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