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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 105 results

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105 results for Pattern / motif query

Cards

Pattern / motif 105 results DB fairmol

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Query interpretation

Pattern registry Vnos: chromene Chromene

Select ID 58 DB fairmol

MK214

ID 58

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

Chromene

Detail

Select ID 73 DB fairmol

MK155

ID 73

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nnc(CCc3ccc(O)c(O)c3)o1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Chromene

Detail

Select ID 133 DB fairmol

KB_chagas_54

ID 133

O=c1cc(NCCCN[C@@H]2CCOc3c(I)cc(Cl)cc32)[nH]c2ccccc12

Formula: C21H21ClIN3O2

MW: 509.78 | LogP: 4.70

TPSA: 66.15

Patterns:

Chromene

Detail

Select ID 135 DB fairmol

MK217

ID 135

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nnc(CCc3ccc(O)c(O)c3)s1)O2

Formula: C23H26N2O4S

MW: 426.54 | LogP: 4.61

TPSA: 95.70

Patterns:

Chromene

Detail

Select ID 167 DB fairmol

MK220

ID 167

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCc1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C25H31N3O4

MW: 437.54 | LogP: 4.28

TPSA: 100.63

Patterns:

Chromene

Detail

Select ID 169 DB fairmol

MK160

ID 169

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Chromene

Detail

Select ID 216 DB fairmol

MK61

ID 216

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCN(Cc3ccc(C(C)C)cc(=O)c3O)CC1)O2

Formula: C29H38N2O5

MW: 494.63 | LogP: 3.93

TPSA: 90.31

Patterns:

Chromene

Detail

Select ID 281 DB fairmol

MK153

ID 281

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C24H27NO5

MW: 409.48 | LogP: 4.74

TPSA: 95.95

Patterns:

Chromene

Detail

Select ID 283 DB fairmol

MK44

ID 283

Cc1c(C)c2c(c(CCN3CCc4ccc(NS(C)(=O)=O)cc43)c1O)CCC(C)(C)O2

Formula: C24H32N2O4S

MW: 444.60 | LogP: 4.09

TPSA: 78.87

Patterns:

Chromene

Detail

Select ID 284 DB fairmol

MK3

ID 284

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCC[NH2+]CCNC(=O)/C=C/c1ccc(O)c(O)c1)O2

Formula: C27H36N3O6+

MW: 498.60 | LogP: 1.32

TPSA: 144.73

Patterns:

Chromene

Detail

Select ID 292 DB fairmol

MK212

ID 292

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cnnn1CCc1ccc(O)c(O)c1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

Chromene

Detail

Select ID 296 DB fairmol

MK215

ID 296

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cnnn1CCc1cc(O)cc(O)c1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

Chromene

Detail

Select ID 350 DB fairmol

MK210

ID 350

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCc1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C26H33N3O4

MW: 451.57 | LogP: 4.67

TPSA: 100.63

Patterns:

Chromene

Detail

Select ID 365 DB fairmol

MK16

ID 365

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)O2

Formula: C23H27NO5

MW: 397.47 | LogP: 3.64

TPSA: 99.02

Patterns:

Chromene

Detail

Select ID 395 DB fairmol

MK33

ID 395

Cc1c(C)c2c(c(CC[N@H+](C)CCc3ccc(NS(C)(=O)=O)cc3)c1O)CCC(C)(C)O2

Formula: C25H37N2O4S+

MW: 461.65 | LogP: 2.78

TPSA: 80.07

Patterns:

Chromene

Detail

Select ID 421 DB fairmol

MK32

ID 421

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCC[NH2+]CCNC(=O)CCCC[C@H]1CCSS1)O2

Formula: C26H42N3O4S2+

MW: 524.77 | LogP: 2.91

TPSA: 104.27

Patterns:

Chromene

Detail

Select ID 427 DB fairmol

MK34

ID 427

Cc1c(C)c2c(c(CC[N@H+](C)CCOc3ccc(NS(C)(=O)=O)cc3)c1O)CCC(C)(C)O2

Formula: C25H37N2O5S+

MW: 477.65 | LogP: 2.62

TPSA: 89.30

Patterns:

Chromene

Detail

Select ID 446 DB fairmol

MK211

ID 446

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCCc1cc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C27H33NO5

MW: 451.56 | LogP: 5.61

TPSA: 95.95

Patterns:

Chromene

Detail

Select ID 447 DB fairmol

MK15

ID 447

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCC[NH+]1CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC1)O2

Formula: C29H38N3O6+

MW: 524.64 | LogP: 1.37

TPSA: 123.77

Patterns:

Chromene

Detail

Select ID 464 DB fairmol

MK219

ID 464

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(Cc1cn(CCCc3ccc(O)c(O)c3)nn1)O2

Formula: C25H31N3O4

MW: 437.54 | LogP: 4.28

TPSA: 100.63

Patterns:

Chromene

Detail

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