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Regex Pattern / motif 28 results

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28 results for Pattern / motif query

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Pattern / motif 28 results DB fairmol

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Pattern registry Vnos: indoline Indoline

Select ID 127 DB fairmol

OHD_TB2019_4

ID 127

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[NH+]1CCN(C2CCCC2)CC1

Formula: C27H31BrN5O2+

MW: 537.48 | LogP: 3.10

TPSA: 70.40

Patterns:

Indoline

Detail

Select ID 341 DB fairmol

OHD_TB2019_1

ID 341

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OC[C@@H](O)CO

Formula: C19H16BrN3O4

MW: 430.26 | LogP: 2.31

TPSA: 103.18

Patterns:

Indoline

Detail

Select ID 556 DB fairmol

OHD_TB2019_3

ID 556

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CC[NH2+]CC1

Formula: C22H23BrN5O2+

MW: 469.36 | LogP: 1.84

TPSA: 82.57

Patterns:

Indoline

Detail

Select ID 599 DB fairmol

OHD_TB2019_2

ID 599

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CC[NH+](CCOCCO)CC1

Formula: C26H31BrN5O4+

MW: 557.47 | LogP: 1.17

TPSA: 99.86

Patterns:

Indoline

Detail

Select ID 753 DB fairmol

OHD_TC1_147

ID 753

O=C1Nc2ccccc2/C1=N/N=c1/scc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1

Formula: C23H14Cl2N4OS

MW: 465.37 | LogP: 5.77

TPSA: 58.75

Patterns:

Indoline

Detail

Select ID 793 DB fairmol

OHD_TC1_146

ID 793

O=C1Nc2ccccc2/C1=N/N=c1/scc(-c2ccc([N+](=O)O)cc2)n1-c1ccccc1

Formula: C23H16N5O3S+

MW: 442.48 | LogP: 4.26

TPSA: 99.06

Patterns:

Indoline

Detail

Select ID 996 DB fairmol

OHD_TB2019_3

ID 996

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[NH+]1CC[NH2+]CC1

Formula: C22H24BrN5O2+2

MW: 470.37 | LogP: 0.42

TPSA: 83.77

Patterns:

Indoline

Detail

Select ID 1358 DB fairmol

OHD_Leishmania_346

ID 1358

O=C1Nc2ccc(Br)cc2/C1=N\Nc1ccnc2cc(Cl)ccc12

Formula: C17H10BrClN4O

MW: 401.65 | LogP: 4.42

TPSA: 66.38

Patterns:

Indoline

Detail

Select ID 2235 DB fairmol

Z49628521

ID 2235

O=C1Nc2ccccc2/C1=N/N/C(O)=C1\C=c2ccccc2=CC1=O

Formula: C19H13N3O3

MW: 331.33 | LogP: 0.55

TPSA: 90.79

Patterns:

Indoline

Detail

Select ID 2664 DB fairmol

Z44304682

ID 2664

Cc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc(C)c1O

Formula: C17H14ClNO2

MW: 299.76 | LogP: 4.16

TPSA: 49.33

Patterns:

Indoline

Detail

Select ID 2691 DB fairmol

ulfkktlib_209

ID 2691

CCCC[NH2+][C@@H](C[C@H]1CNc2ccccc21)C(=O)NCCC1CCCCCCC1

Formula: C25H42N3O+

MW: 400.63 | LogP: 4.18

TPSA: 57.74

Patterns:

Indoline

Detail

Select ID 2865 DB fairmol

Z44304365

ID 2865

O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(N2CCOCC2)cc1

Formula: C19H17ClN2O2

MW: 340.81 | LogP: 3.67

TPSA: 41.57

Patterns:

Indoline

Detail

Select ID 2939 DB fairmol

Z44305068

ID 2939

NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)Nc4cc(Cl)ccc43)o2)cc1

Formula: C19H13ClN2O4S

MW: 400.84 | LogP: 3.74

TPSA: 102.40

Patterns:

Indoline

Detail

Select ID 2972 DB fairmol

Z1222343478

ID 2972

CCOc1ccc(F)cc1[C@]1(O)C(=[NH2+])Nc2ccc(Cl)cc21

Formula: C16H15ClFN2O2+

MW: 321.76 | LogP: 1.70

TPSA: 67.08

Patterns:

Indoline

Detail

Select ID 2985 DB fairmol

OHD_TB2019_4

ID 2985

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[N@H+]1CC[N@@H+](C2CCCC2)CC1

Formula: C27H32BrN5O2+2

MW: 538.49 | LogP: 1.68

TPSA: 71.60

Patterns:

Indoline

Detail

Select ID 3062 DB fairmol

OHD_TB2019_2

ID 3062

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCN(CCOCCO)CC1

Formula: C26H30BrN5O4

MW: 556.46 | LogP: 2.59

TPSA: 98.66

Patterns:

Indoline

Detail

Select ID 3254 DB fairmol

Z44305789

ID 3254

O=C1Nc2ccccc2/C1=C\c1ccc(O)cc1

Formula: C15H11NO2

MW: 237.26 | LogP: 2.88

TPSA: 49.33

Patterns:

Indoline

Detail

Select ID 3326 DB fairmol

Z49628521

ID 3326

O=C1Nc2ccccc2/C1=N\NC(=O)c1cc2ccccc2cc1O

Formula: C19H13N3O3

MW: 331.33 | LogP: 2.63

TPSA: 90.79

Patterns:

Indoline

Detail

Select ID 3428 DB fairmol

Z56762757

ID 3428

N#C/C(=C1/C(=O)Nc2ccccc21)c1nc2ccccc2s1

Formula: C17H9N3OS

MW: 303.35 | LogP: 3.68

TPSA: 65.78

Patterns:

Indoline

Detail

Select ID 3853 DB fairmol

Z49545335

ID 3853

COc1cc(/C=N/N=C2/C(=O)Nc3ccccc32)ccc1O

Formula: C16H13N3O3

MW: 295.30 | LogP: 2.18

TPSA: 83.28

Patterns:

Indoline

Detail

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