General Information of the Compound
| Compound ID |
CP0119441
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[4-(1-benzyl-3-cyanoindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24N4O2
|
||||||||||||||||||
| Molecular Weight |
436.515
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(Oc2ccc3n(Cc4ccccc4)cc(C#N)c3c2)cc1)[C@@H]1CCCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24N4O2/c28-16-20-18-31(17-19-5-2-1-3-6-19)26-13-12-23(15-24(20)26)33-22-10-8-21(9-11-22)30-27(32)25-7-4-14-29-25/h1-3,5-6,8-13,15,18,25,29H,4,7,14,17H2,(H,30,32)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGWKYNYHWPBCHJ-VWLOTQADSA-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