Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H25N.ClH |
Molecular Weight | 315.88 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.C(CN1CCCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChIKey=KNTZUVDGULKCPO-UHFFFAOYSA-N
InChI=1S/C20H25N.ClH/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1-2,4-7,10-13,20H,3,8-9,14-17H2;1H
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C20H25N |
Molecular Weight | 279.4192 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
PubMed
Title | Date | PubMed |
---|---|---|
Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas. | 2005 Jan 3 |
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3D-QSAR studies of substituted 1-(3, 3-diphenylpropyl)-piperidinyl amides and ureas as CCR5 receptor antagonists. | 2007 Apr |
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Current mathematical methods used in QSAR/QSPR studies. | 2009 Apr 29 |
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Prediction of CCR5 receptor binding affinity of substituted 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas based on the heuristic method, support vector machine and projection pursuit regression. | 2009 Jan |
|
Quantitative structure-activity relationships studies of CCR5 inhibitors and toxicity of aromatic compounds using gene expression programming. | 2010 Jan |
|
Molecular modeling studies of 4,5-dihydro-1H-pyrazolo[4,3-h] quinazoline derivatives as potent CDK2/Cyclin a inhibitors using 3D-QSAR and docking. | 2010 Sep 28 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:36:54 GMT 2023
by
admin
on
Fri Dec 15 16:36:54 GMT 2023
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Record UNII |
684N1BF96B
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Record Status |
Validated (UNII)
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Record Version |
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NCI_THESAURUS |
C66880
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3329-14-4
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684N1BF96B
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222-049-9
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m731
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PRIMARY | Merck Index | ||
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C65667
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DTXSID90954927
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197784
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |