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Name | SCHEMBL358030 |
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Molecular formula | C22H21ClN4O4S2 |
IUPAC name | N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)indazol-1-yl]methyl]phenyl]methyl]acetamide |
Molecular weight | 505.004 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 3.2 |
Synonyms | CHEMBL2326611 AUIYEVWOONJZFS-UHFFFAOYSA-N N-[(3-{[3-{[(5-Chloro-2-thienyl)sulfonyl]amino}-4-(hydroxymethyl)-1H-indazol-1-yl]methyl}phenyl)methyl]acetamide |
Inchi Key | AUIYEVWOONJZFS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H21ClN4O4S2/c1-14(29)24-11-15-4-2-5-16(10-15)12-27-18-7-3-6-17(13-28)21(18)22(25-27)26-33(30,31)20-9-8-19(23)32-20/h2-10,28H,11-13H2,1H3,(H,24,29)(H,25,26) |
PubChem CID | 59455976 |
ChEMBL | CHEMBL2326611 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
14673 | C-C chemokine receptor type 4 | P51679 | CCR4 | Homo sapiens (Human) | 360 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417