General Information of the Compound
| Compound ID |
CP0952603
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6alpha-(4'-pyrazolylcarboxamido)morphinan
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O4
|
||||||||||||||||||
| Molecular Weight |
436.512
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cn[nH]c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O4/c29-17-4-3-14-9-18-24(31)6-5-16(27-22(30)15-10-25-26-11-15)21-23(24,19(14)20(17)32-21)7-8-28(18)12-13-1-2-13/h3-4,10-11,13,16,18,21,29,31H,1-2,5-9,12H2,(H,25,26)(H,27,30)/t16-,18+,21-,23-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQEJOSANSSCJTB-NSZXSFTFSA-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 | |||||||||||||||||||
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: PT02264, Kappa-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor