Molecule

4-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl 2-{[(benzyloxy)carbonyl]amino}acetate

AlkaPlorer ID: AK017325

Synonym: None

IUPAC Name: [4-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] 2-(phenylmethoxycarbonylamino)acetate

Structure

SMILES: O=C(CN=C(O)OCC1=CC=CC=C1)OC1=CC=C(Cl)C=C1C(O)=NC1=CC=C(Cl)C(Cl)=C1

InChI: InChI=1S/C23H17Cl3N2O5/c24-15-6-9-20(17(10-15)22(30)28-16-7-8-18(25)19(26)11-16)33-21(29)12-27-23(31)32-13-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,27,31)(H,28,30)

InChIKey: GGXAZDHTOYOERN-UHFFFAOYSA-N

Reference

PubChem CID: 44593573

NPASS: NPC232872

COCONUT: CNP0086466

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Citrus medica	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 507.7570000000002

TPSA？: 100.71

MolLogP？: 6.319300000000003

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Aspergillus fumigatus	Aspergillus fumigatus	IC80	62.5	ug ml-1	10.1016/j.bmcl.2008.11.080
Candida albicans	Candida albicans	IC80	62.5	ug ml-1	10.1016/j.bmcl.2008.11.080
Candida tropicalis	Candida tropicalis	IC80	62.5	ug ml-1	10.1016/j.bmcl.2008.11.080
Lichtheimia corymbifera	Lichtheimia corymbifera	IC80	62.5	ug ml-1	10.1016/j.bmcl.2008.11.080
Mycobacterium avium	Mycobacterium avium	MIC	16000.0	nM	10.1016/j.bmc.2009.04.008
Mycobacterium avium	Mycobacterium avium	MIC	32000.0	nM	10.1016/j.bmc.2009.04.008
Mycobacterium kansasii	Mycobacterium kansasii	MIC	8000.0	nM	10.1016/j.bmc.2009.04.008
Mycobacterium kansasii	Mycobacterium kansasii	MIC	16000.0	nM	10.1016/j.bmc.2009.04.008
Mycobacterium tuberculosis	Mycobacterium tuberculosis	Inhibition	0.0	%	10.1016/j.bmcl.2008.11.080
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	6.25	ug.mL-1	10.1016/j.bmcl.2008.11.080
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	1000.0	nM	10.1016/j.bmc.2009.04.008
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	2000.0	nM	10.1016/j.bmc.2009.04.008
Nakaseomyces glabratus	Nakaseomyces glabratus	IC80	62.5	ug ml-1	10.1016/j.bmcl.2008.11.080
Pichia kudriavzevii	Pichia kudriavzevii	IC80	62.5	ug ml-1	10.1016/j.bmcl.2008.11.080
Trichophyton mentagrophytes	Trichophyton mentagrophytes	IC80	31.25	ug ml-1	10.1016/j.bmcl.2008.11.080
Trichosporon beigelii	Trichosporon beigelii	IC80	62.5	ug ml-1	10.1016/j.bmcl.2008.11.080
None	No relevant target	log K	0.8639	None	10.1016/j.bmc.2009.04.008
None	No relevant target	log K	0.8639	None	10.1016/j.bmcl.2008.11.080