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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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9 results for Pattern / motif query
Pattern / motif 9 results DB fairmol
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Query interpretation
Pattern registry Vnos: cycloheptane Cycloheptane
ID 691 DB fairmol
2D structure

ulfkktlib_180

ID 691

CCC[C@@H]1[NH2+][C@H](C(=O)NCCC2CCCCCC2)Cc2c1[nH]c1c2ccc2ccccc21

Formula: C28H38N3O+

MW: 432.63 | LogP: 5.13

TPSA: 61.50

Patterns:

Cycloheptane
Detail
ID 3636 DB fairmol
2D structure

TC57

ID 3636

C[N+]1(C)[C@@H]2CC[C@H]1C/C(=C/CO[P@@](=O)(O)OCCCCC=C1CCCCCCCCCCCCCC1)C2

Formula: C31H57NO4P+

MW: 538.77 | LogP: 9.02

TPSA: 55.76

Patterns:

Cycloheptane
Detail
ID 3856 DB fairmol
2D structure

Z1614451557

ID 3856

Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1

Formula: C29H41F2N5O

MW: 513.68 | LogP: 5.95

TPSA: 63.05

Patterns:

Cycloheptane
Detail
ID 3939 DB fairmol
2D structure

TC57

ID 3939

C[N+]1(C)[C@@H]2CC[C@H]1C/C(=C\CO[P@@](=O)(O)OCCCCC=C1CCCCCCCCCCCCCC1)C2

Formula: C31H57NO4P+

MW: 538.77 | LogP: 9.02

TPSA: 55.76

Patterns:

Cycloheptane
Detail
ID 4027 DB fairmol
2D structure

ulfkktlib_205

ID 4027

CCCC[NH2+][C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)NCCC1CCCCCC1

Formula: C24H38N3O2+

MW: 400.59 | LogP: 3.62

TPSA: 81.73

Patterns:

Cycloheptane
Detail
ID 4277 DB fairmol
2D structure

ulfkktlib_189

ID 4277

CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCCCC1

Formula: C22H31N3O2

MW: 369.51 | LogP: 3.69

TPSA: 73.99

Patterns:

Cycloheptane
Detail
ID 4766 DB fairmol
2D structure

Z108847942

ID 4766

N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1

Formula: C20H27N3O3S

MW: 389.52 | LogP: 2.80

TPSA: 90.27

Patterns:

Cycloheptane
Detail
ID 4965 DB fairmol
2D structure

ulfkktlib_191

ID 4965

O=C(NCCC1CCCCCC1)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccccc1

Formula: C27H36N3O+

MW: 418.61 | LogP: 4.32

TPSA: 61.50

Patterns:

Cycloheptane
Detail
ID 5464 DB fairmol
2D structure

ulfkktlib_186

ID 5464

COCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCCCC1

Formula: C23H35N3O2

MW: 385.55 | LogP: 3.79

TPSA: 66.15

Patterns:

Cycloheptane
Detail