General Information of the Compound
| Compound ID |
CP0916092
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Trans-(Z)-ethyl 2-((1S,5S)-2-(((1S,2R)-2-(2-(1H-indole-2-carboxamido)ethyl)cyclopropyl)methyl)-5-(3-hydroxyphenyl)-2-azabicyclo[3.3.1]nonan-9-ylidene)acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H39N3O4
|
||||||||||||||||||
| Molecular Weight |
541.692
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)/C=C1\[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2C[C@H]1C[C@@H]1CCNC(=O)c1cc2ccccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H39N3O4/c1-2-40-31(38)20-27-30-11-6-13-33(27,25-8-5-9-26(37)19-25)14-16-36(30)21-24-17-22(24)12-15-34-32(39)29-18-23-7-3-4-10-28(23)35-29/h3-5,7-10,18-20,22,24,30,35,37H,2,6,11-17,21H2,1H3,(H,34,39)/b27-20+/t22-,24+,30-,33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFNVUZGWWDUWJI-HDZLCOIDSA-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: PT00943, D(3) dopamine receptor
Protein ID: PT01515, Mu-type opioid receptor