General Information of the Compound
| Compound ID |
CP0935636
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9096606, 4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39FNO4+
|
||||||||||||||||||
| Molecular Weight |
520.665
|
||||||||||||||||||
| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38FNO4/c1-34(17-20-3-4-20)14-13-31-27-22-7-10-25(35)28(27)38-29(31)32(36-2)12-11-30(31,26(34)15-22)16-23(32)19-37-18-21-5-8-24(33)9-6-21/h5-10,20,23,26,29H,3-4,11-19H2,1-2H3/p+1/t23-,26-,29-,30-,31+,32-,34?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDRPLPCXUIBXLY-SWNZWMJTSA-O
|
||||||||||||||||||
| 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: PT00983, Kappa-type opioid receptor
Protein ID: PT02466, Opioid growth factor receptor-like protein 1