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(2-Bromoethyl)cyclohexane - Compound Summary (CID 15440)


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: 12)
Display: Next 2 | All | Sort:
(2-Bromoethyl)cyclohexane
2-Cyclohexylethyl bromide
Cyclohexane, (2-bromoethyl)-
NSC6078
467952_ALDRICH
1-BROMO-2-CYCLOHEXYLETHANE
CID15440
NSC46808
EINECS 216-712-1
AI3-17379


Properties Computed from Structure:
Molecular Weight191.1087 [g/mol]
Molecular FormulaC8H15Br
XLogP3-AA4.1
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count2
Exact Mass190.035713
MonoIsotopic Mass190.035713
Topological Polar Surface Area0
Heavy Atom Count9
Formal Charge0
Complexity65
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-bromoethylcyclohexane
Canonical SMILES: C1CCC(CC1)CCBr
InChI: InChI=1S/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey: JRQAAYVLPPGEHT-UHFFFAOYSA-N


Compound Information:
CID 15440   
Create Date: 2005-03-26


Similar Compounds: 15 Links
Similar Conformers: 4283 Links    View Conformers


Substance Information:
Substances:
    All: 14 Links
    Same structure: 12 Links
    Mixture: 2 Links

Category: [for same structure substances]
Biological Properties: 4 Links
   DiscoveryGate ( 1 )
SID 8161599 - External ID: 15440
   DTP/NCI ( 2 )
SID 100133 - External ID: 46808
SID 72073 - External ID: 6078
   NextBio ( 1 )
SID 51492774 - External ID: 15440

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 16447959 - External ID: 01708160

Physical Properties: 2 Links
   NIST ( 1 )
SID 10364296 - External ID: 4225942989
   NIST Chemistry WebBook ( 1 )
SID 10509964 - External ID: 4225942989

Substance Vendors: 3 Links
   Ambinter ( 1 )
SID 48588483 - External ID: ST5411815
   ChemSpider ( 1 )
SID 29283398 - External ID: 14693
   Sigma-Aldrich ( 1 )
SID 24870450 - External ID: 467952_ALDRICH

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 6080754 - External ID: 6638272

Toxicology: 1 Link
   ChemIDplus ( 1 )
SID 158759 - External ID: 001647263
     

2D

3D
Compound ID15440
Molecular Weight191.1087 [g/mol]
Molecular FormulaC8H15Br
XLogP3-AA4.1
H-Bond Donor0
H-Bond Acceptor0


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