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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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10 results for Pattern / motif query

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Pattern / motif 10 results DB demo

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Query interpretation

Pattern registry Vnos: cyclohexane Cyclohexane

Select ID 83 DB demo

KB_HAT_125

ID 83

Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1

Formula: C21H25N5OS

MW: 395.53 | LogP: 4.29

TPSA: 82.96

Patterns:

Cyclohexane

Detail

Select ID 3617 DB demo

OSA_Lib_227

ID 3617

C[NH+]1CCN(CCC[N@@H+]2CC[C@]3([NH+]4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1

Formula: C32H49N4+3

MW: 489.77 | LogP: 0.64

TPSA: 16.56

Patterns:

Cyclohexane

Detail

Select ID 4763 DB demo

Z281786934

ID 4763

O=C(N[C@H]1CC[C@H](O)CC1)N[C@H]1CC[C@H](O)CC1

Formula: C13H24N2O3

MW: 256.35 | LogP: 0.89

TPSA: 81.59

Patterns:

Cyclohexane

Detail

Select ID 4796 DB demo

OSA_Lib_223

ID 4796

CN1CC[NH+]([C@]23C[C@H](NC(=O)CCN4CC[NH+](C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1

Formula: C33H49N5O+2

MW: 531.79 | LogP: 0.64

TPSA: 44.46

Patterns:

Cyclohexane

Detail

Select ID 5343 DB demo

TC455

ID 5343

C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC=C(CF)CO1

Formula: C24H35FO2

MW: 374.54 | LogP: 5.37

TPSA: 29.46

Patterns:

Cyclohexane

Detail

Select ID 5358 DB demo

TC107

ID 5358

COCCn1cc2c([nH+]1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2

Formula: C22H29N2O2+

MW: 353.49 | LogP: 3.22

TPSA: 48.53

Patterns:

Cyclohexane

Detail

Select ID 5377 DB demo

TC64

ID 5377

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Cyclohexane

Detail

Select ID 5383 DB demo

TC152

ID 5383

COc1ccc(C#CC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1

Formula: C29H36O3

MW: 432.60 | LogP: 5.56

TPSA: 46.53

Patterns:

Cyclohexane

Detail

Select ID 5476 DB demo

Z56832742

ID 5476

NS(=O)(=O)c1ccc(N/N=C2\CCCC[C@@H]2C2CCCCC2)c([N+](=O)O)c1

Formula: C18H27N4O4S+

MW: 395.51 | LogP: 3.67

TPSA: 124.86

Patterns:

Cyclohexane

Detail

Select ID 5534 DB demo

OSA_Lib_54

ID 5534

[NH3+]CC(=O)O[C@@H]1C[C@]2([NH+]3CCCC3)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2

Formula: C26H34N2O2+2

MW: 406.57 | LogP: 1.94

TPSA: 58.38

Patterns:

Cyclohexane

Detail