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TAK-220 , CAS No.333994-00-6, Antagonist of CCR5
Basic Description
Synonyms | TAK-220|333994-00-6|1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide|TAK220|TAK 220|TBR-220|CHEMBL207004|928QIN0R16|1-acetyl-N-(3-(4-(4-carbamoylbenzyl)piperidin-1-yl)propyl)-N-(3-chlor |
Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | ANTAGONIST |
Mechanism of action | Antagonist of CCR5 |
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Names and Identifiers
IUPAC Name | 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide |
INCHI | InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38) |
InChi Key | ASSJTMUEFHUKMJ-UHFFFAOYSA-N |
Canonical SMILES | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N |
Isomeric SMILES | CC1=C(C=C(C=C1)N(CCCN2CCC(CC2)CC3=CC=C(C=C3)C(=O)N)C(=O)C4CCN(CC4)C(=O)C)Cl |
PubChem CID | 5275766 |
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