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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 34 results

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34 results for Pattern / motif query

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Pattern / motif 34 results DB demo

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Query interpretation

Pattern registry Vnos: aryl_ether Aryl ether

Select ID 73 DB demo

MK155

ID 73

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nnc(CCc3ccc(O)c(O)c3)o1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Aryl ether

Detail

Select ID 78 DB demo

TC490

ID 78

Cc1cc(C)c2c(c1C)O[C@@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

Aryl ether

Detail

Select ID 123 DB demo

OHD_ACDS_73

ID 123

C=CCc1cc(Cn2cc(-c3nc4ccccc4c(=O)[nH]3)nn2)c(O)c(OC)c1

Formula: C21H19N5O3

MW: 389.42 | LogP: 2.67

TPSA: 105.92

Patterns:

Aryl ether

Detail

Select ID 155 DB demo

OHD_TB2020_34

ID 155

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3ccc(Cl)nc3[nH]2)c1=O

Formula: C20H19Cl2N5O2

MW: 432.31 | LogP: 3.90

TPSA: 77.73

Patterns:

Aryl ether

Detail

Select ID 219 DB demo

Z29514151

ID 219

Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)coc2c1

Formula: C23H24N2O6S

MW: 456.52 | LogP: 2.59

TPSA: 89.29

Patterns:

Aryl ether

Detail

Select ID 423 DB demo

OHD_MAC_47

ID 423

COc1ccc(/C=N/Nc2ncnc3c(Nc4ccc(OCCCO)cc4)ncnc23)cc1O

Formula: C23H23N7O4

MW: 461.48 | LogP: 3.08

TPSA: 146.90

Patterns:

Aryl ether

Detail

Select ID 589 DB demo

OHD_MAC_49

ID 589

OCCCOc1ccc(Nc2ncnc3c(N/N=C/c4ccc(O)c(O)c4)ncnc23)cc1

Formula: C22H21N7O4

MW: 447.46 | LogP: 2.78

TPSA: 157.90

Patterns:

Aryl ether

Detail

Select ID 944 DB demo

Z19459210

ID 944

COc1cc(-c2nnc(SCc3cc(=O)oc4cc(O)c(O)cc34)o2)cc(OC)c1OC

Formula: C21H18N2O8S

MW: 458.45 | LogP: 3.57

TPSA: 137.28

Patterns:

Aryl ether

Detail

Select ID 983 DB demo

KB_Leish_34

ID 983

COc1ccc(Oc2ccc([C@@H](C)N(C)c3ncc4c(N)nc(N)[nH+]c4n3)cc2)cc1

Formula: C22H24N7O2+

MW: 418.48 | LogP: 3.00

TPSA: 126.55

Patterns:

Aryl ether

Detail

Select ID 1262 DB demo

MK29

ID 1262

Cc1c(C)c2c(c(CCc3ccc(O)c(O)c3)c1O)CCC(C)(C)O2

Formula: C21H26O4

MW: 342.44 | LogP: 4.31

TPSA: 69.92

Patterns:

Aryl ether

Detail

Select ID 1399 DB demo

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:

Aryl ether

Detail

Select ID 1423 DB demo

TC431

ID 1423

COc1ccc(C[N@H+]2C[C@](C)(COCc3cc(CCc4ccc(OC)c(OC)c4)no3)Oc3c(C)c(C)cc(C)c32)cc1

Formula: C35H43N2O6+

MW: 587.74 | LogP: 5.50

TPSA: 76.62

Patterns:

Aryl ether

Detail

Select ID 1429 DB demo

OHD_TB2022_27

ID 1429

CCS(=O)(=O)N(C)c1cccc(NC(=O)c2cccc(C(N)=[NH2+])c2)c1OCc1ccc(C(N)=[NH2+])cc1

Formula: C25H30N6O4S+2

MW: 510.62 | LogP: -0.77

TPSA: 178.93

Patterns:

Aryl ether

Detail

Select ID 1504 DB demo

Z55982019

ID 1504

Nn1c(COc2ccc(Cl)cc2)n[nH]c1=S

Formula: C9H9ClN4OS

MW: 256.72 | LogP: 1.89

TPSA: 68.86

Patterns:

Aryl ether

Detail

Select ID 1632 DB demo

Z18651473

ID 1632

Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc2c(c1)OCCO2

Formula: C22H19N3O5S

MW: 437.48 | LogP: 4.48

TPSA: 92.52

Patterns:

Aryl ether

Detail

Select ID 1752 DB demo

Z44425700

ID 1752

COc1ccc(O)c(C(=O)c2cnn(-c3ccccn3)c2)c1

Formula: C16H13N3O3

MW: 295.30 | LogP: 2.21

TPSA: 77.24

Patterns:

Aryl ether

Detail

Select ID 1757 DB demo

TC261

ID 1757

COc1ccc(CCn2cc(CO)nn2)cc1OC

Formula: C13H17N3O3

MW: 263.30 | LogP: 1.03

TPSA: 69.40

Patterns:

Aryl ether

Detail

Select ID 1837 DB demo

Z30206012

ID 1837

CCOc1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1

Formula: C17H16N2O3S2

MW: 360.46 | LogP: 4.36

TPSA: 68.29

Patterns:

Aryl ether

Detail

Select ID 1857 DB demo

OHD_MAC_78

ID 1857

COc1ccc(Nc2ncnc3c(NN)ncnc23)cc1

Formula: C13H13N7O

MW: 283.30 | LogP: 1.46

TPSA: 110.87

Patterns:

Aryl ether

Detail

Select ID 1929 DB demo

Z31287542

ID 1929

O=C1/C(=C\N/N=C(\O)[C@H]2COc3ccccc3O2)c2ccccc2C(=O)N1c1ccccc1Cl

Formula: C25H18ClN3O5

MW: 475.89 | LogP: 4.17

TPSA: 100.46

Patterns:

Aryl ether

Detail

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