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Regex Pattern / motif 76 results

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76 results for Pattern / motif query

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Pattern / motif 76 results DB demo

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Query interpretation

Pattern registry Vnos: carbonyl Carbonyl

Select ID 2 DB demo

Z20253414

ID 2

Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1

Formula: C17H17N5O3S

MW: 371.42 | LogP: 2.19

TPSA: 102.05

Patterns:

Carbonyl

Detail

Select ID 42 DB demo

Z49724748

ID 42

Cc1cc(SCC(=O)N/N=C\c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Carbonyl

Detail

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:

Carbonyl

Detail

Select ID 110 DB demo

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:

Carbonyl

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:

Carbonyl

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:

Carbonyl

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:

Carbonyl

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:

Carbonyl

Detail

Select ID 554 DB demo

KB_Leish_39

ID 554

CC[N@@H+](Cc1nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2[nH]1)[C@H]1CCCc2cccnc21

Formula: C28H33N8O+

MW: 497.63 | LogP: 2.19

TPSA: 95.34

Patterns:

Carbonyl

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:

Carbonyl

Detail

Select ID 580 DB demo

Z55185189

ID 580

Cn1cnnc1SCc1ccc(C(=O)n2ncc(C#N)c2N)cc1

Formula: C15H13N7OS

MW: 339.38 | LogP: 1.45

TPSA: 115.41

Patterns:

Carbonyl

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:

Carbonyl

Detail

Select ID 603 DB demo

OHD_TbNat_2

ID 603

CC(C)=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O

Formula: C20H20O5

MW: 340.38 | LogP: 3.91

TPSA: 97.99

Patterns:

Carbonyl

Detail

Select ID 678 DB demo

Z20255081

ID 678

CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1

Formula: C20H18N4O3S3

MW: 458.59 | LogP: 4.59

TPSA: 101.13

Patterns:

Carbonyl

Detail

Select ID 703 DB demo

OHD_Leishmania_257

ID 703

C[NH2+]CCNC(=O)CN1C(=O)Cc2c([nH]c3ccc(Cl)cc23)-c2ccc(Cl)cc21

Formula: C21H21Cl2N4O2+

MW: 432.33 | LogP: 2.34

TPSA: 81.81

Patterns:

Carbonyl

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:

Carbonyl

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:

Carbonyl

Detail

Select ID 1121 DB demo

Z16382399

ID 1121

CCN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)[C@H]1CCS(=O)(=O)C1

Formula: C19H21N5O3S2

MW: 431.54 | LogP: 1.94

TPSA: 98.05

Patterns:

Carbonyl

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:

Carbonyl

Detail

Select ID 1219 DB demo

Z16211652

ID 1219

CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1

Formula: C18H16ClN3O3S

MW: 389.86 | LogP: 4.00

TPSA: 88.24

Patterns:

Carbonyl

Detail

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