General Information of the Compound
| Compound ID |
CP0282315
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22N4O2
|
||||||||||||||||||
| Molecular Weight |
422.488
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(Oc2ccc3n(cc(C#N)c3c2)-c2ccccc2)cc1)[C@@H]1CCCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22N4O2/c27-16-18-17-30(20-5-2-1-3-6-20)25-13-12-22(15-23(18)25)32-21-10-8-19(9-11-21)29-26(31)24-7-4-14-28-24/h1-3,5-6,8-13,15,17,24,28H,4,7,14H2,(H,29,31)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRJNEDUGTKEQSO-DEOSSOPVSA-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