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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 144 Samples 0
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2 results for Pattern / motif query
Pattern / motif 2 results DB demo
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Pattern registry Vnos: pan_assay_1 PAINS — catechol
ID 678 DB demo
2D structure

Z20255081

ID 678

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

Formula: C20H18N4O3S3

MW: 458.59 | LogP: 4.59

TPSA: 101.13

Patterns:

PAINS — catechol
Detail
ID 1219 DB demo
2D structure

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:

PAINS — catechol
Detail