None

AlkaPlorer ID: AK323350

Synonym: None

IUPAC Name: N,N'-bis[3-[(2-phenylphenyl)methylamino]propyl]heptane-1,7-diamine

Structure

SMILES: C1=CC=C(C2=CC=CC=C2CNCCCNCCCCCCCNCCCNCC2=CC=CC=C2C2=CC=CC=C2)C=C1

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InChI: InChI=1S/C39H52N4/c1(2-14-26-40-28-16-30-42-32-36-22-10-12-24-38(36)34-18-6-4-7-19-34)3-15-27-41-29-17-31-43-33-37-23-11-13-25-39(37)35-20-8-5-9-21-35/h4-13,18-25,40-43H,1-3,14-17,26-33H2

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InChIKey: SMXBYDUXBBEQDB-UHFFFAOYSA-N

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Reference

PubChem CID: 10099664

NPASS: NPC482008

Source

Species Genus Family Order Class Phylum Kingdom Domain
Encephalitozoon cuniculi Encephalitozoon Unikaryonidae None None Microsporidia Fungi Eukaryota

Properties Information

Molecule Weight: 576.8730000000004

TPSA: 48.12

MolLogP: 7.809900000000008

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Encephalitozoon cuniculi Encephalitozoon cuniculi IC50 470.0 nM 10.1016/s0960-894x(01)00315-8
Encephalitozoon cuniculi Encephalitozoon cuniculi IC50 470.0 nM 10.1021/jm000084m
Trypanosoma brucei Trypanosoma brucei IC50 190.0 nM 10.1016/s0960-894x(01)00315-8
Trypanosoma brucei Trypanosoma brucei IC50 190.0 nM 10.1021/jm000084m
Trypanosoma brucei Trypanosoma brucei IC50 200.0 nM 10.1016/s0960-894x(01)00315-8
Trypanosoma brucei Trypanosoma brucei IC50 200.0 nM 10.1021/jm000084m
Trypanosoma brucei Trypanosoma brucei IC50 240.0 nM 10.1016/s0960-894x(01)00315-8
Trypanosoma brucei Trypanosoma brucei IC50 240.0 nM 10.1021/jm000084m
Trypanosoma brucei Trypanosoma brucei IC50 750.0 nM 10.1016/s0960-894x(01)00315-8
Trypanosoma brucei Trypanosoma brucei IC50 750.0 nM 10.1021/jm000084m
None Unchecked Activity 478.7 nmol/min 10.1128/aac.00267-08
None Unchecked Activity 672.0 nmol/min 10.1128/aac.00267-08
None Unchecked Activity 1953.5 nmol/min 10.1128/aac.00267-08
None Unchecked Activity 2342.3 nmol/min 10.1128/aac.00267-08
None Unchecked Activity 2927.0 nmol/min 10.1128/aac.00267-08
None Unchecked FC 0.31 None 10.1128/aac.00267-08
None Unchecked FC 0.8 None 10.1128/aac.00267-08
None Unchecked Ki 40000.0 nM 10.1128/aac.00267-08
None Unchecked Km 2000.0 nM 10.1128/aac.00267-08
None Unchecked Vmax 7.6 microM/min 10.1128/aac.00267-08

Metabolism Information