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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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11 results for Pattern / motif query
Pattern / motif 11 results DB fairmol
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Query interpretation
Pattern registry Vnos: purine Purine
ID 222 DB fairmol
2D structure

Z2217007926

ID 222

CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2c1=O

Formula: C24H25ClN6O4S

MW: 529.02 | LogP: 2.65

TPSA: 124.16

Patterns:

Purine
Detail
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:

Purine
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:

Purine
Detail
ID 1078 DB fairmol
2D structure

MK156

ID 1078

O=S(=O)(Nc1ccc(Oc2ncnc3[nH]cnc23)cc1)c1ccccc1

Formula: C17H13N5O3S

MW: 367.39 | LogP: 2.95

TPSA: 109.86

Patterns:

Purine
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:

Purine
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:

Purine
Detail
ID 1503 DB fairmol
2D structure

NMT-TY0171

ID 1503

O=c1[nH]c2nc(SCc3ccccc3)[nH]c(=O)c2[nH]1

Formula: C12H10N4O2S

MW: 274.31 | LogP: 1.23

TPSA: 94.40

Patterns:

Purine
Detail
ID 1556 DB fairmol
2D structure

NMT-TY0206

ID 1556

Nc1nc2c(O)[nH]c(=S)nc2[nH]1

Formula: C5H5N5OS

MW: 183.20 | LogP: 0.30

TPSA: 103.61

Patterns:

Purine
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:

Purine
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:

Purine
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:

Purine
Detail