General Information of the Compound
| Compound ID |
CP0297336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphthalene-2-carboxylic acid 4-carboxy-phenyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20O4S
|
||||||||||||||||||
| Molecular Weight |
404.487
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Oc1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20O4S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)23(27)28-17-8-5-15(6-9-17)22(25)26/h3-11,13-14H,12H2,1-2H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXFFKWLFGLGDNU-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 | |||||||||||||||||||