Mixture/Component Compounds for PubChem Compound (Select 88778732) - PubChem Compound - NCBI

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Items: 2

Select item 1269411.

an image of a chemical structure CID 126941

methotrexate; 59-05-2; Rheumatrex ...

MW:: 454.400
MF:: C₂₀H₂₂N₈O₅

IUPAC name:: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]ben...

Create Date:: 2005-06-24

CID:: 126941

Summary Same Parent, Connectivity PubMed (MeSH Keyword)

Select item 78452.

an image of a chemical structure CID 7845

1,3-BUTADIENE; Buta-1,3-diene; 106-99-0 ...

MW:: 54.090
MF:: C₄H₆

IUPAC name:: buta-1,3-diene

Create Date:: 2005-03-26

CID:: 7845

Summary Same Parent, Connectivity PubMed (MeSH Keyword)

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Chemical Properties

Rule of 5 (1)
Compounds satisfied Lipinski's Rule of Five in evaluating druglikeness. Query: (-5:5[LOGP]) AND (0:500[MOLWT]) AND (0:5[HBDC]) AND (0:10[HBAC]).

BioActivity Experiments

BioAssays, Active (2)
Compounds identified as active in screening experiments

BioAssays, Tested (2)
Compounds identified as tested in screening experiments

Protein 3D Structures (1)
Compounds bound to proteins in atructure biology experiments

BioMedical Annotation

Pharmacological Actions (2)
Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (1)
Compounds involved in biological pathways

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