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Name | UPCMLD00CSF70-1-1 |
---|---|
Molecular formula | C31H35ClN2O3 |
IUPAC name | methyl 4-benzoyl-9-[2-(4-chlorophenyl)ethyl]-3,7-dimethyl-10-propyl-4,9-diazatricyclo[6.3.0.02,6]undeca-1(8),10-diene-3-carboxylate |
Molecular weight | 519.082 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 6.2 |
Synonyms | CHEMBL1453216 SDCCGMLS-0091446.P001 CMLD1_000033 NCGC00074613-01 |
Inchi Key | AHFOZRIQKCRHCR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H35ClN2O3/c1-5-9-24-18-25-27-26(20(2)28(25)33(24)17-16-21-12-14-23(32)15-13-21)19-34(31(27,3)30(36)37-4)29(35)22-10-7-6-8-11-22/h6-8,10-15,18,20,26-27H,5,9,16-17,19H2,1-4H3 |
PubChem CID | 5459457 |
ChEMBL | CHEMBL1453216 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
5504 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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