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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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7 results for Pattern / motif query
Pattern / motif 7 results DB fairmol
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Pattern registry Vnos: adenine Adenine
ID 610 DB fairmol
2D structure

MK170

ID 610

O[n+]1onc(-c2ccccc2)c1C[NH+]1CCN(c2ncnc3[nH]cnc23)CC1

Formula: C18H20N8O2+2

MW: 380.41 | LogP: -0.56

TPSA: 112.28

Patterns:

Adenine
Detail
ID 959 DB fairmol
2D structure

MK178

ID 959

NC(=S)c1ccc(OCCN2CCN(c3ncnc4[nH]cnc34)CC2)cc1

Formula: C18H21N7OS

MW: 383.48 | LogP: 1.19

TPSA: 96.19

Patterns:

Adenine
Detail
ID 1101 DB fairmol
2D structure

MK170

ID 1101

O[n+]1onc(-c2ccccc2)c1CN1CCN(c2ncnc3[nH]cnc23)CC1

Formula: C18H19N8O2+

MW: 379.40 | LogP: 0.85

TPSA: 111.08

Patterns:

Adenine
Detail
ID 1245 DB fairmol
2D structure

MK178

ID 1245

NC(=S)c1ccc(OCC[NH+]2CCN(c3ncnc4[nH]cnc34)CC2)cc1

Formula: C18H22N7OS+

MW: 384.49 | LogP: -0.23

TPSA: 97.39

Patterns:

Adenine
Detail
ID 3448 DB fairmol
2D structure

Z372953774

ID 3448

c1coc(CNc2ncnc3[nH]cnc23)c1

Formula: C10H9N5O

MW: 215.22 | LogP: 1.56

TPSA: 79.63

Patterns:

Adenine
Detail
ID 3671 DB fairmol
2D structure

Z803081352

ID 3671

NC[C@@H]1CN(c2ncnc3[nH]cnc23)CCO1

Formula: C10H14N6O

MW: 234.26 | LogP: -0.48

TPSA: 92.95

Patterns:

Adenine
Detail
ID 4003 DB fairmol
2D structure

MK110

ID 4003

O=C(NCCO[N+](=O)O)c1nc2c(N3CCCCC3)ncnc2[nH]1

Formula: C13H18N7O4+

MW: 336.33 | LogP: 0.17

TPSA: 136.34

Patterns:

Adenine
Detail