Compounds

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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Pattern / motif 50 results DB fairmol

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Query interpretation

Pattern registry Vnos: guanidine Guanidine

Select ID 86 DB fairmol

OHD_MV-37

ID 86

NC1=NC(=[NH2+])N(c2ccc(Cl)cc2)[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C20H25ClN6+2

MW: 384.92 | LogP: -0.25

TPSA: 83.68

Patterns:

Guanidine

Detail

Select ID 88 DB fairmol

OHD_MV-42

ID 88

Cc1ccc(N2C(=[NH2+])N=C(N)N[C@]23CCC[N@@H+](Cc2ccccc2)C3)cc1

Formula: C21H28N6+2

MW: 364.50 | LogP: -0.59

TPSA: 83.68

Patterns:

Guanidine

Detail

Select ID 171 DB fairmol

Z56815608

ID 171

COc1ccc2nc(/N=C(/N)NC(=O)Nc3ccccc3)nc(C)c2c1

Formula: C18H18N6O2

MW: 350.38 | LogP: 2.71

TPSA: 114.52

Patterns:

Guanidine

Detail

Select ID 257 DB fairmol

OHD_MV-36

ID 257

NC1=NC(=[NH2+])N(c2ccccc2)[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C20H26N6+2

MW: 350.47 | LogP: -0.90

TPSA: 83.68

Patterns:

Guanidine

Detail

Select ID 327 DB fairmol

OHD_MV-41

ID 327

NC1=NC(=[NH2+])N(c2ccc(O)cc2)[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C20H26N6O+2

MW: 366.47 | LogP: -1.19

TPSA: 103.91

Patterns:

Guanidine

Detail

Select ID 351 DB fairmol

OHD_MV-43

ID 351

COc1ccc(N2C(=[NH2+])N=C(N)N[C@]23CCC[N@@H+](Cc2ccccc2)C3)cc1

Formula: C21H28N6O+2

MW: 380.50 | LogP: -0.89

TPSA: 92.91

Patterns:

Guanidine

Detail

Select ID 368 DB fairmol

OHD_MV-39

ID 368

NC1=NC(=[NH2+])N(c2ccc(Br)cc2)[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C20H25BrN6+2

MW: 429.37 | LogP: -0.14

TPSA: 83.68

Patterns:

Guanidine

Detail

Select ID 424 DB fairmol

OHD_MV-44

ID 424

NC1=NC(=[NH2+])N(c2ccc(F)cc2)[C@]2(CC[N@H+](Cc3ccccc3)CC2)N1

Formula: C20H25FN6+2

MW: 368.46 | LogP: -0.76

TPSA: 83.68

Patterns:

Guanidine

Detail

Select ID 435 DB fairmol

OHD_MV-45

ID 435

NC1=NC(=[NH2+])N(c2ccc(Br)cc2)C2(CCN(Cc3ccccc3)CC2)N1

Formula: C20H24BrN6+

MW: 428.36 | LogP: 1.28

TPSA: 82.48

Patterns:

Guanidine

Detail

Select ID 488 DB fairmol

OHD_MV-46

ID 488

COc1ccc(N2C(=[NH2+])N=C(N)NC23CCN(Cc2ccccc2)CC3)cc1

Formula: C21H27N6O+

MW: 379.49 | LogP: 0.53

TPSA: 91.71

Patterns:

Guanidine

Detail

Select ID 492 DB fairmol

OHD_MV-38

ID 492

NC1=NC(=[NH2+])N(c2ccc(F)cc2)[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C20H25FN6+2

MW: 368.46 | LogP: -0.76

TPSA: 83.68

Patterns:

Guanidine

Detail

Select ID 508 DB fairmol

Z56833821

ID 508

Cc1cc2nc(/N=C(/N)NC(=O)NC3CCCCC3)nc(C)c2cc1C

Formula: C19H26N6O

MW: 354.46 | LogP: 3.13

TPSA: 105.29

Patterns:

Guanidine

Detail

Select ID 546 DB fairmol

OHD_MV-40

ID 546

NC1=NC(=[NH2+])N(c2ccc(C(=O)O)cc2)[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C21H26N6O2+2

MW: 394.48 | LogP: -1.20

TPSA: 120.98

Patterns:

Guanidine

Detail

Select ID 574 DB fairmol

OHD_Leishmania_216

ID 574

[H]/N=C(NCCCCCCNC(=[NH2+])/N=C(/N)Nc1ccc(Cl)cc1)/[NH+]=C(/N)Nc1ccc(Cl)cc1

Formula: C22H32Cl2N10+2

MW: 507.47 | LogP: 0.02

TPSA: 175.93

Patterns:

Guanidine

Detail

Select ID 725 DB fairmol

OHD_MV-41

ID 725

NC1=NC(=[NH2+])N(c2ccc(O)cc2)[C@@]2(CCCN(Cc3ccccc3)C2)N1

Formula: C20H25N6O+

MW: 365.46 | LogP: 0.22

TPSA: 102.71

Patterns:

Guanidine

Detail

Select ID 952 DB fairmol

OHD_MV-44

ID 952

NC1=NC(=[NH2+])N(c2ccc(F)cc2)C2(CCN(Cc3ccccc3)CC2)N1

Formula: C20H24FN6+

MW: 367.45 | LogP: 0.66

TPSA: 82.48

Patterns:

Guanidine

Detail

Select ID 1000 DB fairmol

OHD_MV-16

ID 1000

CC1(C)NC(N)=NC(=[NH2+])N1c1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1

Formula: C19H21Cl2N6O+

MW: 420.32 | LogP: 1.50

TPSA: 108.34

Patterns:

Guanidine

Detail

Select ID 1011 DB fairmol

OHD_MV-20

ID 1011

CC1(C)NC(N)=NC(=[NH2+])N1c1ccc(C(=O)NCc2cccc(Cl)c2)cc1

Formula: C19H22ClN6O+

MW: 385.88 | LogP: 0.85

TPSA: 108.34

Patterns:

Guanidine

Detail

Select ID 1035 DB fairmol

OHD_MV-33

ID 1035

COc1ccccc1CNC(=O)c1ccc(N2C(=[NH2+])N=C(N)NC2(C)C)cc1

Formula: C20H25N6O2+

MW: 381.46 | LogP: 0.20

TPSA: 117.57

Patterns:

Guanidine

Detail

Select ID 1294 DB fairmol

OHD_MV-41

ID 1294

NC1=NC(=[NH2+])N(c2ccc(O)cc2)[C@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C20H26N6O+2

MW: 366.47 | LogP: -1.19

TPSA: 103.91

Patterns:

Guanidine

Detail

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