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Regex Pattern / motif 25 results

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25 results for Pattern / motif query

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Pattern / motif 25 results DB demo

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Query interpretation

Pattern registry Vnos: catechol Catechol

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:

Catechol

Detail

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:

Catechol

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:

Catechol

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:

Catechol

Detail

Select ID 386 DB demo

Z44847963

ID 386

O/C(=N\N=C/c1ccc(O)c(O)c1)c1ccc(CSc2cccc3cccnc23)cc1

Formula: C24H19N3O3S

MW: 429.50 | LogP: 5.28

TPSA: 98.30

Patterns:

Catechol

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:

Catechol

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:

Catechol

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:

Catechol

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:

Catechol

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:

Catechol

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:

Catechol

Detail

Select ID 1387 DB demo

Z1521553711

ID 1387

Oc1ccc([C@@H]2C[NH2+]CCc3c2cc(O)c(O)c3Cl)cc1

Formula: C16H17ClNO3+

MW: 306.77 | LogP: 1.71

TPSA: 77.30

Patterns:

Catechol

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:

Catechol

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:

Catechol

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:

Catechol

Detail

Select ID 1726 DB demo

Z49719002

ID 1726

Oc1ccc(/C=N/Nc2ccc(Cl)nn2)c(O)c1O

Formula: C11H9ClN4O3

MW: 280.67 | LogP: 1.69

TPSA: 110.86

Patterns:

Catechol

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:

Catechol

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:

Catechol

Detail

Select ID 2288 DB demo

Z49894309

ID 2288

COc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1O

Formula: C18H18N4O2S

MW: 354.44 | LogP: 3.73

TPSA: 79.63

Patterns:

Catechol

Detail

Select ID 2687 DB demo

Z49610429

ID 2687

COc1cc(/C=N\NS(=O)(=O)c2ccc(C)c([N+](=O)O)c2)ccc1O

Formula: C15H16N3O6S+

MW: 366.38 | LogP: 1.82

TPSA: 128.30

Patterns:

Catechol

Detail

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