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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 32 results

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32 results for Pattern / motif query

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Pattern / motif 32 results DB demo

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Query interpretation

Pattern registry Vnos: sulfonamide_bioisostere Sulfonamide bioisostere

Select ID 93 DB demo

NMT-TY0612

ID 93

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SCCc3ccccc3)nc2=O)cc1

Formula: C20H21N5O4S2

MW: 459.55 | LogP: 2.45

TPSA: 147.04

Patterns:

Sulfonamide bioisostere

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:

Sulfonamide bioisostere

Detail

Select ID 291 DB demo

Z19316134

ID 291

Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1

Formula: C21H22N4O4S2

MW: 458.57 | LogP: 2.69

TPSA: 101.49

Patterns:

Sulfonamide bioisostere

Detail

Select ID 326 DB demo

NMT-TY0616

ID 326

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)nc(SC3CCCC3)[nH]c2=O)cc1

Formula: C17H21N5O4S2

MW: 423.52 | LogP: 2.15

TPSA: 147.04

Patterns:

Sulfonamide bioisostere

Detail

Select ID 455 DB demo

Z27504791

ID 455

C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(S(N)(=O)=O)cc1

Formula: C19H20N4O4S

MW: 400.46 | LogP: 1.38

TPSA: 135.01

Patterns:

Sulfonamide bioisostere

Detail

Select ID 462 DB demo

NMT-TY0406

ID 462

CSc1nc(=O)c(NS(=O)(=O)c2ccc(N)cc2)c(N)[nH]1

Formula: C11H13N5O3S2

MW: 327.39 | LogP: 0.46

TPSA: 143.96

Patterns:

Sulfonamide bioisostere

Detail

Select ID 524 DB demo

NMT-TY0622

ID 524

[H]/N=c1/[nH]c(SC2CCCC2)nc(O)c1NS(=O)(=O)c1ccc(N)cc1

Formula: C15H19N5O3S2

MW: 381.48 | LogP: 2.01

TPSA: 144.95

Patterns:

Sulfonamide bioisostere

Detail

Select ID 558 DB demo

OHD_Leishmania_480

ID 558

O=C(c1cccnc1)N1N=C(c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C[C@@H]1c1cccnc1

Formula: C26H19Cl2N5O3S

MW: 552.44 | LogP: 5.58

TPSA: 104.62

Patterns:

Sulfonamide bioisostere

Detail

Select ID 586 DB demo

Z32377576

ID 586

NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1

Formula: C15H16ClN3O5S2

MW: 417.90 | LogP: 0.61

TPSA: 149.42

Patterns:

Sulfonamide bioisostere

Detail

Select ID 680 DB demo

Z56948577

ID 680

O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2ccccc2c1

Formula: C18H12ClN3O2S

MW: 369.83 | LogP: 4.24

TPSA: 71.95

Patterns:

Sulfonamide bioisostere

Detail

Select ID 710 DB demo

Z79567126

ID 710

Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C

Formula: C21H25N5O3S2

MW: 459.60 | LogP: 2.49

TPSA: 118.28

Patterns:

Sulfonamide bioisostere

Detail

Select ID 1095 DB demo

Z49605162

ID 1095

O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1

Formula: C25H27N5O4S2

MW: 525.66 | LogP: 3.20

TPSA: 104.20

Patterns:

Sulfonamide bioisostere

Detail

Select ID 1140 DB demo

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:

Sulfonamide bioisostere

Detail

Select ID 1375 DB demo

Z49643066

ID 1375

Cc1ccc(NS(=O)(=O)c2cc([N+](=O)O)ccc2N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(C)c1

Formula: C28H29N6O5S2+

MW: 593.71 | LogP: 5.31

TPSA: 136.23

Patterns:

Sulfonamide bioisostere

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:

Sulfonamide bioisostere

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:

Sulfonamide bioisostere

Detail

Select ID 1451 DB demo

Z1521554012

ID 1451

O=C(O)c1cc(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

Formula: C18H14N4O5S

MW: 398.40 | LogP: 3.70

TPSA: 141.31

Patterns:

Sulfonamide bioisostere

Detail

Select ID 1599 DB demo

Z334929348

ID 1599

NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1

Formula: C13H12Cl2N2O3S

MW: 347.22 | LogP: 2.96

TPSA: 92.42

Patterns:

Sulfonamide bioisostere

Detail

Select ID 1625 DB demo

NMT-TY0562

ID 1625

CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(N)nc2N)cc1

Formula: C12H14N6O3S

MW: 322.35 | LogP: 0.40

TPSA: 153.09

Patterns:

Sulfonamide bioisostere

Detail

Select ID 1671 DB demo

Z54323248

ID 1671

O=C(N/N=C/c1ccc([N+](=O)O)o1)c1ccc(NS(=O)(=O)c2cccs2)cc1

Formula: C16H13N4O6S2+

MW: 421.44 | LogP: 2.71

TPSA: 141.08

Patterns:

Sulfonamide bioisostere

Detail

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