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100 results for Pattern / motif query

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Pattern / motif 100 results DB fairmol

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Query interpretation

Pattern registry Vnos: pyrazine Pyrazine

Select ID 36 DB fairmol

Z108563960

ID 36

O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1ccccc1

Formula: C20H15N3O3S

MW: 377.43 | LogP: 3.39

TPSA: 91.92

Patterns:

Pyrazine

Detail

Select ID 45 DB fairmol

Z31183768

ID 45

Cc1noc(C)c1CSc1nc2ccccc2[nH]/c1=N\S(=O)(=O)c1ccc(Cl)cc1

Formula: C20H17ClN4O3S2

MW: 460.97 | LogP: 4.40

TPSA: 101.21

Patterns:

Pyrazine

Detail

Select ID 77 DB fairmol

Z55700194

ID 77

N#Cc1c(N)n(CCc2ccc(Cl)cc2Cl)c2nc3ccccc3nc12

Formula: C19H13Cl2N5

MW: 382.25 | LogP: 4.59

TPSA: 80.52

Patterns:

Pyrazine

Detail

Select ID 110 DB fairmol

KB_HAT_118

ID 110

NC(=O)c1ncc(N[C@@H]2CCC[NH2+]C2)nc1Nc1cccc(Cl)c1

Formula: C16H20ClN6O+

MW: 347.83 | LogP: 1.11

TPSA: 109.54

Patterns:

Pyrazine

Detail

Select ID 261 DB fairmol

OHD_Leishmania_128

ID 261

COC(=O)C1CCN(C(=O)Cc2ccc(NCc3cnc4[nH+]c(N)nc(N)c4n3)cc2)CC1

Formula: C22H27N8O3+

MW: 451.51 | LogP: 0.57

TPSA: 163.49

Patterns:

Pyrazine

Detail

Select ID 265 DB fairmol

KB_HAT_112

ID 265

COc1ccc2ncc(=O)n(CCN3CC[C@H]([NH2+]Cc4ncc(Cl)c5[nH]ncc45)[C@H](O)C3)c2n1

Formula: C22H26ClN8O3+

MW: 485.96 | LogP: -0.08

TPSA: 138.66

Patterns:

Pyrazine

Detail

Select ID 269 DB fairmol

KB_chagas_202

ID 269

CN(C)c1ccc(-c2cc3nccnc3c(OC[C@H]3CCC[NH2+]C3)n2)c[nH+]1

Formula: C20H26N6O+2

MW: 366.47 | LogP: 0.92

TPSA: 81.89

Patterns:

Pyrazine

Detail

Select ID 276 DB fairmol

OHD_TB2022_22

ID 276

COc1ccc(Oc2ccc(CN(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)cc1

Formula: C22H23N7O2

MW: 417.47 | LogP: 3.02

TPSA: 125.30

Patterns:

Pyrazine

Detail

Select ID 340 DB fairmol

KB_Leish_181

ID 340

COc1ccc2ncc(=O)n(CC[N@H+]3CC[C@H]([NH2+]Cc4ccc(-c5cccs5)cc4)CC3)c2n1

Formula: C26H31N5O2S+2

MW: 477.63 | LogP: 1.34

TPSA: 78.06

Patterns:

Pyrazine

Detail

Select ID 348 DB fairmol

OHD_Leishmania_133

ID 348

NC(=O)C1CCN(C(=O)Cc2ccc(N(CCCO)Cc3cnc4[nH+]c(N)nc(N)c4n3)cc2)CC1

Formula: C24H32N9O3+

MW: 494.58 | LogP: -0.34

TPSA: 191.72

Patterns:

Pyrazine

Detail

Select ID 398 DB fairmol

OHD_Leishmania_126

ID 398

COC(=O)C1CCN(C(=O)c2ccc(SCc3cnc4nc(N)nc(N)c4n3)nc2)CC1

Formula: C20H22N8O3S

MW: 454.52 | LogP: 1.30

TPSA: 163.10

Patterns:

Pyrazine

Detail

Select ID 483 DB fairmol

OHD_Leishmania_134

ID 483

NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N(CCCO)Cc2cnc3nc(N)nc(N)c3[nH+]2)cc1

Formula: C23H30N9O3+

MW: 480.55 | LogP: -0.59

TPSA: 191.72

Patterns:

Pyrazine

Detail

Select ID 553 DB fairmol

OHD_Leishmania_132

ID 553

Nc1nc(N)c2nc(CNc3ccc(C(=O)NCCc4ccccc4)cc3)cnc2[nH+]1

Formula: C22H23N8O+

MW: 415.48 | LogP: 1.59

TPSA: 145.98

Patterns:

Pyrazine

Detail

Select ID 583 DB fairmol

OHD_Leishmania_125

ID 583

COC(=O)C1CCN(C(=O)c2ccc(N(Cc3ccccc3)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1

Formula: C28H30N8O3

MW: 526.60 | LogP: 2.82

TPSA: 153.45

Patterns:

Pyrazine

Detail

Select ID 628 DB fairmol

OHD_TB2022_21

ID 628

COc1ccc(Oc2ccc(CN(Cc3ccccc3)Cc3cnc4[nH+]c(N)nc(N)c4n3)cc2)cc1

Formula: C28H28N7O2+

MW: 494.58 | LogP: 4.01

TPSA: 126.55

Patterns:

Pyrazine

Detail

Select ID 629 DB fairmol

OHD_Leishmania_130

ID 629

CCCOC(=O)C1CCN(C(=O)c2ccc(N(C)Cc3cnc4nc(N)nc(N)c4[nH+]3)cc2)CC1

Formula: C24H31N8O3+

MW: 479.57 | LogP: 1.45

TPSA: 154.70

Patterns:

Pyrazine

Detail

Select ID 636 DB fairmol

OHD_Leishmania_136

ID 636

CCN(Cc1cnc2nc(N)nc(N)c2[nH+]1)c1ccc(C(=O)c2ccccc2)cc1

Formula: C22H22N7O+

MW: 400.47 | LogP: 2.26

TPSA: 125.16

Patterns:

Pyrazine

Detail

Select ID 637 DB fairmol

OHD_Leishmania_124

ID 637

C#CCN(Cc1cnc2nc(N)nc(N)c2[nH+]1)c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1

Formula: C24H27N8O3+

MW: 475.53 | LogP: 0.67

TPSA: 154.70

Patterns:

Pyrazine

Detail

Select ID 647 ★ Native ligand DB fairmol

OHD_Leishmania_127

ID 647

COC(=O)C1CCN(C(=O)c2ccc(N(CCCO)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1

Formula: C24H30N8O4

MW: 494.56 | LogP: 1.00

TPSA: 173.68

Patterns:

Pyrazine

Detail

Select ID 680 DB fairmol

Z56948577

ID 680

O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2ccccc2c1

Formula: C18H12ClN3O2S

MW: 369.83 | LogP: 4.24

TPSA: 71.95

Patterns:

Pyrazine

Detail

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