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 |
|---|---|---|
| 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. | 2010-09-28 |
|
| Quantitative structure-activity relationships studies of CCR5 inhibitors and toxicity of aromatic compounds using gene expression programming. | 2010-01 |
|
| Current mathematical methods used in QSAR/QSPR studies. | 2009-04-29 |
|
| 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. | 2009-01 |
|
| 3D-QSAR studies of substituted 1-(3, 3-diphenylpropyl)-piperidinyl amides and ureas as CCR5 receptor antagonists. | 2007-04 |
|
| Comparative QSAR modeling of CCR5 receptor binding affinity of substituted 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas. | 2006-09-01 |
|
| Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas. | 2005-01-03 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:32:38 GMT 2025
by
admin
on
Mon Mar 31 18:32:38 GMT 2025
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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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Preferred Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C66880
Created by
admin on Mon Mar 31 18:32:38 GMT 2025 , Edited by admin on Mon Mar 31 18:32:38 GMT 2025
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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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