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NSC305787

CAS No.:
785718-37-8
Catalog Number:
AG00G3RD
Molecular Formula:
C25H30Cl2N2O
Molecular Weight:
445.4245
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00G3RD
Chemical Name:
NSC305787
CAS Number:
785718-37-8
Molecular Formula:
C25H30Cl2N2O
Molecular Weight:
445.4245
MDL Number:
MFCD29126236
IUPAC Name:
[2-(1-adamantyl)-6,8-dichloroquinolin-4-yl]-piperidin-2-ylmethanol
InChI:
InChI=1S/C25H30Cl2N2O/c26-17-8-18-19(24(30)21-3-1-2-4-28-21)10-22(29-23(18)20(27)9-17)25-11-14-5-15(12-25)7-16(6-14)13-25/h8-10,14-16,21,24,28,30H,1-7,11-13H2
InChI Key:
YNGQUUFYBFKLNH-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)c(cc(n2)C12CC3CC(C2)CC(C1)C3)C(C1CCCCN1)O
Properties
Complexity:
603  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.174g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
445.428g/mol
Monoisotopic Mass:
444.174g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Literature
Title Journal
Ezrin Inhibition Up-regulates Stress Response Gene Expression. The Journal of biological chemistry 20160617
Small molecule inhibitors of ezrin inhibit the invasive phenotype of osteosarcoma cells. Oncogene 20120119
Properties