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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 25 results

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25 results for Pattern / motif query

Cards

Pattern / motif 25 results DB fairmol

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Query interpretation

Pattern registry Vnos: benzomorpholine Benzomorpholine

Select ID 78 DB fairmol

TC490

ID 78

Cc1cc(C)c2c(c1C)O[C@@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

Benzomorpholine

Detail

Select ID 486 DB fairmol

TC322

ID 486

[H]/N=C(\CCc1ccc(O)c(O)c1)CC(=O)COC[C@]1(C)CNc2c(C)cc(C)c(C)c2O1

Formula: C25H32N2O5

MW: 440.54 | LogP: 4.21

TPSA: 111.87

Patterns:

Benzomorpholine

Detail

Select ID 722 DB fairmol

TC490

ID 722

Cc1cc(C)c2c(c1C)O[C@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

Benzomorpholine

Detail

Select ID 723 DB fairmol

TC344

ID 723

COc1ccc(CCC(=[NH2+])CC(=O)COC[C@]2(C)CNc3c(C)cc(C)c(C)c3O2)cc1OC

Formula: C27H37N2O5+

MW: 469.60 | LogP: 3.00

TPSA: 91.61

Patterns:

Benzomorpholine

Detail

Select ID 823 DB fairmol

TC288

ID 823

Cc1cc(C)c2c(c1C)O[C@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

Benzomorpholine

Detail

Select ID 956 DB fairmol

TC343

ID 956

Cc1c(C)c(-c2cccc(O)c2)c(C)c2c1O[C@@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)CN2

Formula: C28H30N4O4

MW: 486.57 | LogP: 4.95

TPSA: 112.66

Patterns:

Benzomorpholine

Detail

Select ID 1135 DB fairmol

TC322

ID 1135

[H]/N=C(/CCc1ccc(O)c(O)c1)CC(=O)COC[C@@]1(C)CNc2c(C)cc(C)c(C)c2O1

Formula: C25H32N2O5

MW: 440.54 | LogP: 4.21

TPSA: 111.87

Patterns:

Benzomorpholine

Detail

Select ID 1242 DB fairmol

Z56838445

ID 1242

COc1ccccc1/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1C[C@@H]1CCCO1

Formula: C23H23N3O4S

MW: 437.52 | LogP: 3.97

TPSA: 74.08

Patterns:

Benzomorpholine

Detail

Select ID 2122 DB fairmol

TC241

ID 2122

O=C1Nc2ccccc2O/C1=C(\O)N/N=C/c1ccc(O)cc1O

Formula: C16H13N3O5

MW: 327.30 | LogP: 1.78

TPSA: 123.41

Patterns:

Benzomorpholine

Detail

Select ID 2276 DB fairmol

Z19223403

ID 2276

O=C1COc2ccc(C(=O)CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cc2N1

Formula: C25H18N4O3S

MW: 454.51 | LogP: 4.51

TPSA: 94.07

Patterns:

Benzomorpholine

Detail

Select ID 2291 DB fairmol

TC343

ID 2291

Cc1c(C)c(-c2cccc(O)c2)c(C)c2c1O[C@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)CN2

Formula: C28H30N4O4

MW: 486.57 | LogP: 4.95

TPSA: 112.66

Patterns:

Benzomorpholine

Detail

Select ID 2402 DB fairmol

Z114950874

ID 2402

COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(OC)c1

Formula: C19H17NO5

MW: 339.35 | LogP: 2.93

TPSA: 73.86

Patterns:

Benzomorpholine

Detail

Select ID 2791 DB fairmol

TC322

ID 2791

Cc1cc(C)c2c(c1C)O[C@](C)(COCC(=O)CC(=[NH2+])CCc1ccc(O)c(O)c1)CN2

Formula: C25H33N2O5+

MW: 441.55 | LogP: 2.39

TPSA: 113.61

Patterns:

Benzomorpholine

Detail

Select ID 3290 DB fairmol

TC342

ID 3290

Cc1c(C)c(-c2cccc(O)c2)c(C)c2c1O[C@@](C)(COCc1cn(CCc3ccc(O)c(O)c3)nn1)CN2

Formula: C30H34N4O5

MW: 530.63 | LogP: 5.01

TPSA: 121.89

Patterns:

Benzomorpholine

Detail

Select ID 3305 DB fairmol

TC288

ID 3305

Cc1cc(C)c2c(c1C)O[C@@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

Benzomorpholine

Detail

Select ID 3489 DB fairmol

TC250

ID 3489

O=C(N/N=C/c1ccc(O)cc1)[C@@H]1CNc2ccccc2O1

Formula: C16H15N3O3

MW: 297.31 | LogP: 1.72

TPSA: 82.95

Patterns:

Benzomorpholine

Detail

Select ID 3654 DB fairmol

TC249

ID 3654

O=C(N/N=C/c1cccc(O)c1)[C@H]1CNc2ccccc2O1

Formula: C16H15N3O3

MW: 297.31 | LogP: 1.72

TPSA: 82.95

Patterns:

Benzomorpholine

Detail

Select ID 3949 DB fairmol

TC322

ID 3949

Cc1cc(C)c2c(c1C)O[C@@](C)(COCC(=O)CC(=[NH2+])CCc1ccc(O)c(O)c1)CN2

Formula: C25H33N2O5+

MW: 441.55 | LogP: 2.39

TPSA: 113.61

Patterns:

Benzomorpholine

Detail

Select ID 4650 DB fairmol

KB_chagas_78

ID 4650

CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc4C3)c(C)cc2NC1=O

Formula: C23H27N3O5S

MW: 457.55 | LogP: 2.31

TPSA: 96.02

Patterns:

Benzomorpholine

Detail

Select ID 4682 DB fairmol

TC248

ID 4682

O=C(N/N=C/c1ccccc1O)[C@H]1CNc2ccccc2O1

Formula: C16H15N3O3

MW: 297.31 | LogP: 1.72

TPSA: 82.95

Patterns:

Benzomorpholine

Detail

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