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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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4 results for Pattern / motif query
Pattern / motif 4 results DB fairmol
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Pattern registry Vnos: xanthene Xanthene
ID 1349 DB fairmol
2D structure

TC268

ID 1349

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=S)Nc1ccc3c(c1)C(=O)OC31c3ccc(O)cc3Oc3cc(O)ccc31)[C@H]1[C@H]3CC[C@@]4(O[C@@H]4CO)[C@@]3(C)CC[C@@H]12

Formula: C50H58N4O12S

MW: 939.10 | LogP: 5.54

TPSA: 222.19

Patterns:

Xanthene
Detail
ID 4251 DB fairmol
2D structure

TC268

ID 4251

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=S)Nc1ccc3c(c1)C(=O)OC31c3ccc(O)cc3Oc3cc(O)ccc31)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21O[C@@H]1CO

Formula: C50H58N4O12S

MW: 939.10 | LogP: 5.54

TPSA: 222.19

Patterns:

Xanthene
Detail
ID 4323 DB fairmol
2D structure

Z28597610

ID 4323

Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc32)sc1C

Formula: C19H16N2O2S

MW: 336.42 | LogP: 4.64

TPSA: 51.22

Patterns:

Xanthene
Detail
ID 4706 DB fairmol
2D structure

Z60744774

ID 4706

O=C(Nc1ccccn1)C1c2ccccc2Oc2ccccc21

Formula: C19H14N2O2

MW: 302.33 | LogP: 3.96

TPSA: 51.22

Patterns:

Xanthene
Detail