General Information of the Compound
| Compound ID |
CP0416496
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(2aS,8R,8aR)-3-[4-(trifluoromethoxy)benzoyl]-2,2a,8,8a-tetrahydro-1H-cyclobuta[b]quinolin-8-yl]-cyclopropylcarbamoyl]oxyacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23F3N2O6
|
||||||||||||||||||
| Molecular Weight |
504.461
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)COC(=O)N(C1CC1)[C@@H]1[C@@H]2CC[C@@H]2N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23F3N2O6/c26-25(27,28)36-16-9-5-14(6-10-16)23(33)30-19-4-2-1-3-17(19)22(18-11-12-20(18)30)29(15-7-8-15)24(34)35-13-21(31)32/h1-6,9-10,15,18,20,22H,7-8,11-13H2,(H,31,32)/t18-,20+,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZKYOJJKTYMTRO-CBQOVEMMSA-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