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NSC403871 - Compound Summary (CID 345914)


BioActivity Results:
Tested in BioAssays: All: 6   Inactive: 6
BioActivity Summary: This Compound   with Similar Compounds

AID: 175 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the mlh1 rad18 strain

AID: 167 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the bub3 strain

AID: 165 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the cln2 rad14 strain

AID: 161 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the sgs1 mgt1 strain

more ...

Depositor-Supplied Synonyms: (Total: 3)
Sort:
NSC403871
CID345914
20210-99-5


Properties Computed from Structure:
Molecular Weight254.27902 [g/mol]
Molecular FormulaC13H18O5
XLogP32.7
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count9
Tautomer Count4
Exact Mass254.115424
MonoIsotopic Mass254.115424
Topological Polar Surface Area65
Heavy Atom Count18
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 2-(2-ethoxyethoxy)ethyl 2-hydroxybenzoate
Canonical SMILES: CCOCCOCCOC(=O)C1=CC=CC=C1O
InChI: InChI=1S/C13H18O5/c1-2-16-7-8-17-9-10-18-13(15)11-5-3-4-6-12(11)14/h3-6,
14H,2,7-10H2,1H3
InChIKey: UHTJMBHXTUBHKT-UHFFFAOYSA-N


Compound Information:
CID 345914   
Create Date: 2005-03-26


Similar Compounds: 670 Links
Similar Conformers: 21 Links    View Conformers


Substance Information:
Substances: 5 Links

Category: [for same structure substances]
Biological Properties: 3 Links
   DiscoveryGate ( 1 )
SID 8904304 - External ID: 345914
   DTP/NCI ( 1 )
SID 474131 - External ID: 403871
   NextBio ( 1 )
SID 50969937 - External ID: 345914

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 41492942 - External ID: 306809

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 4837954 - External ID: 5248914
     

2D

3D
Compound ID345914
Molecular Weight254.27902 [g/mol]
Molecular FormulaC13H18O5
XLogP32.7
H-Bond Donor1
H-Bond Acceptor5


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