The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
N'-(2-chlorobenzylidene)stearohydrazide ID: ALA1170779
PubChem CID: 9656031
Max Phase: Preclinical
Molecular Formula: C25H41ClN2O
Molecular Weight: 421.07
Molecule Type: Small molecule
This compound is available for customization.
Associated Items:
Names and Identifiers Synonyms: N'-(2-Chlorobenzylidene)Stearohydrazide | CHEMBL1170779|AKOS024399299|N'-(2-Chlorobenzylidene)Stearohydrazide|N'-[(E)-(2-chlorophenyl)methylidene]octadecanohydrazide
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1Cl
Standard InChI: InChI=1S/C25H41ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25(29)28-27-22-23-19-17-18-20-24(23)26/h17-20,22H,2-16,21H2,1H3,(H,28,29)/b27-22+
Standard InChI Key: HRODLYQCXVYQGD-HPNDGRJYSA-N
Molfile:
RDKit 2D
29 29 0 0 0 0 0 0 0 0999 V2000
21.1902 -26.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1891 -27.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9039 -27.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6203 -27.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6175 -26.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9021 -26.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8996 -25.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1839 -24.7893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.1815 -23.9643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.4658 -23.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.4633 -22.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.7525 -23.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0375 -23.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3250 -23.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6125 -23.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9000 -23.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1875 -23.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4750 -23.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7625 -23.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0500 -23.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3375 -23.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6244 -23.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.4757 -26.0251 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
11.9086 -23.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1954 -23.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4796 -23.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7665 -23.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0507 -23.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3375 -24.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6 7 1 0
14 15 1 0
3 4 2 0
15 16 1 0
7 8 2 0
16 17 1 0
17 18 1 0
8 9 1 0
18 19 1 0
4 5 1 0
19 20 1 0
9 10 1 0
20 21 1 0
2 3 1 0
21 22 1 0
10 11 2 0
1 23 1 0
5 6 2 0
22 24 1 0
10 12 1 0
24 25 1 0
6 1 1 0
25 26 1 0
12 13 1 0
26 27 1 0
1 2 2 0
27 28 1 0
13 14 1 0
28 29 1 0
M END Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 421.07Molecular Weight (Monoisotopic): 420.2907AlogP: 8.05#Rotatable Bonds: 18Polar Surface Area: 41.46Molecular Species: NEUTRALHBA: 2HBD: 1#RO5 Violations: 1HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): 1CX Acidic pKa: 11.85CX Basic pKa: 1.40CX LogP: 9.08CX LogD: 9.08Aromatic Rings: 1Heavy Atoms: 29QED Weighted: 0.15Np Likeness Score: -0.98
References 1. Kumar D, Judge V, Narang R, Sangwan S, De Clercq E, Balzarini J, Narasimhan B.. (2010) Benzylidene/2-chlorobenzylidene hydrazides: synthesis, antimicrobial activity, QSAR studies and antiviral evaluation., 45 (7): [PMID:20347509 ] [10.1016/j.ejmech.2010.03.002 ]
