General Information of the Compound
| Compound ID |
CP0059332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
Show/Hide
|
||||||||||||||||||
| Synonyms |
1-(4-METHOXYBENZYL)-5-TRIFLUOROMETHOXYISATIN
1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione
1160247-92-6
AKOS024457724
API0008325
B7448
BDBM50258656
CHEMBL466253
CS-0003122
CTK8E8884
DTXSID40655290
GTPL3257
HY-12157
J-003368
KB-81463
MFCD16618396
ML129
MolPort-023-276-878
RT-017613
VU 0238429
VU-0238429
VU0238429
VU0238429, solubility: >=20 mg/mL in DMSO
VU0238429-1
ZINC40875741
cid_42633508
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12F3NO4
|
||||||||||||||||||
| Molecular Weight |
351.28
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKLGZXFOLMHCMC-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01470, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Clinical Information about the Compound