General Information of the Compound
| Compound ID |
CP0913926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-fluorobenzyl)-N-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]-ethyl}malonamic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C25H29FN2O4
|
||||||||||||||||||
| Molecular Weight |
440.515
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)CC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)Cc1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29FN2O4/c26-20-5-1-3-17(11-20)16-27(24(30)15-25(31)32)9-10-28-21-7-8-22(28)13-19(12-21)18-4-2-6-23(29)14-18/h1-6,11,14,19,21-22,29H,7-10,12-13,15-16H2,(H,31,32)/t19-,21+,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OVGHJHDJWQPIDD-QQFNCUIESA-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 | |||||||||||||||||||
| 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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor