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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 144 Samples 0
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8 results for Pattern / motif query
Pattern / motif 8 results DB demo
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Query interpretation
Pattern registry Vnos: quinoline Quinoline
ID 386 DB demo
2D structure

Z44847963

ID 386

O/C(=N\N=C/c1ccc(O)c(O)c1)c1ccc(CSc2cccc3cccnc23)cc1

Formula: C24H19N3O3S

MW: 429.50 | LogP: 5.28

TPSA: 98.30

Patterns:

Quinoline
Detail
ID 1140 DB demo
2D structure

Z30002984

ID 1140

O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12

Formula: C27H20FN3O4S

MW: 501.54 | LogP: 5.36

TPSA: 101.30

Patterns:

Quinoline
Detail
ID 1338 DB demo
2D structure

Z68347375

ID 1338

O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1O

Formula: C22H16N4O3

MW: 384.40 | LogP: 3.08

TPSA: 104.21

Patterns:

Quinoline
Detail
ID 1399 DB demo
2D structure

OHD_TC1_194

ID 1399

COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC

Formula: C30H32N4O5S

MW: 560.68 | LogP: 4.23

TPSA: 101.40

Patterns:

Quinoline
Detail
ID 2118 DB demo
2D structure

ulfkktlib_2881

ID 2118

NN/C(O)=C(\C(=O)c1ccccc1)c1ccc2ccccc2n1

Formula: C18H15N3O2

MW: 305.34 | LogP: 2.81

TPSA: 88.24

Patterns:

Quinoline
Detail
ID 3036 DB demo
2D structure

KB_chagas_54

ID 3036

O=c1cc(NCCCN[C@H]2CCOc3c(I)cc(Cl)cc32)[nH]c2ccccc12

Formula: C21H21ClIN3O2

MW: 509.78 | LogP: 4.70

TPSA: 66.15

Patterns:

Quinoline
Detail
ID 3758 DB demo
2D structure

Z56174682

ID 3758

Oc1c([C@H](Nc2nccs2)c2ccccn2)ccc2cccnc12

Formula: C18H14N4OS

MW: 334.40 | LogP: 3.99

TPSA: 70.93

Patterns:

Quinoline
Detail
ID 4811 DB demo
2D structure

Z1501485359

ID 4811

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(C[NH+](C)C)c(O)ccc3nc2-1

Formula: C23H24N3O5+

MW: 422.46 | LogP: 0.43

TPSA: 106.09

Patterns:

Quinoline
Detail