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EHT 1864

CAT: 0926-FE103242-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FE103242-01Size:10 mg
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CAS Number
754240-09-0
MDL Number
MFCD11114384
Smiles
C1COCCN1CC2=CC (=O) C (=CO2) OCCCCCSC3=C4C=CC (=CC4=NC=C3) C (F) (F) F.Cl.Cl
Molecular Formula
C25H27F3N2O4S• (HCl) 2
Molecular Weight
581.48 g/mol
Controlled
No

Chemical Information

Eht-1864

EHT 1864 is an EC 3.6.5.* (hydrolases acting on GTP; involved in cellular and subcellular movement) inhibitor.

CAS Number754240-09-0
PubChem CID9938202
IUPAC Name2-(morpholin-4-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one;dihydrochloride
Molecular FormulaC25H29Cl2F3N2O4S
Molecular Weight581.5
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity770
SMILES
C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl
InChI
InChI=1S/C25H27F3N2O4S.2ClH/c26-25(27,28)18-4-5-20-21(14-18)29-7-6-24(20)35-13-3-1-2-10-33-23-17-34-19(15-22(23)31)16-30-8-11-32-12-9-30;;/h4-7,14-15,17H,1-3,8-13,16H2;2*1H
InChIKey
LSECOAJFCKFQJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eht-1864
CAS: 754240-09-0
CID: 9938202
Formula: C25H29Cl2F3N2O4S
MW: 581.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass580.1177185
Monoisotopic Mass580.1177185
Topological Polar Surface Area86.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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