Molecule

N-[9-(mesitylsulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-yl]-N-(2-methylbenzyl)amine

AlkaPlorer ID: AK342837

Synonym: None

IUPAC Name: N-[(2-methylphenyl)methyl]-9-(2,4,6-trimethylphenyl)sulfonyl-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

Structure

SMILES: CC1=CC(C)=C(S(=O)(=O)N2CCC3(CC2)NCCN=C3NCC2=CC=CC=C2C)C(C)=C1

InChI: InChI=1S/C25H34N4O2S/c1-18-15-20(3)23(21(4)16-18)32(30,31)29-13-9-25(10-14-29)24(26-11-12-28-25)27-17-22-8-6-5-7-19(22)2/h5-8,15-16,28H,9-14,17H2,1-4H3,(H,26,27)

InChIKey: BHRKRFMBZVZVFN-UHFFFAOYSA-N

Reference

Spongian Diterpenes with Thyrotropin Releasing Hormone Receptor 2 Binding Affinity from <i>Spongia</i> sp.

Corymbones A and B, Phloroglucinols with Thyrotropin Releasing Hormone Receptor 2 Binding Affinity from the Flowers of <i>Corymbia peltata</i>

A community-driven global reconstruction of human metabolism

PubChem CID: 53120360

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 454.64000000000016

TPSA？: 73.8

MolLogP？: 3.2350800000000026

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Plasmodium falciparum	Plasmodium falciparum	Inhibition	-3.0	%	10.6019/CHEMBL4888484
Plasmodium falciparum	Plasmodium falciparum	Z score	0.35	None	10.6019/CHEMBL4888484