General Information of the Compound
| Compound ID |
CP0780865
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[4-[[3-(1-Methylpyrazol-4-yl)-1H-indol-5-yl]oxy]-phenyl]pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N5O2
|
||||||||||||||||||
| Molecular Weight |
401.47
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(-c2c[nH]c3ccc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc4)cc23)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N5O2/c1-28-14-15(12-26-28)20-13-25-21-9-8-18(11-19(20)21)30-17-6-4-16(5-7-17)27-23(29)22-3-2-10-24-22/h4-9,11-14,22,24-25H,2-3,10H2,1H3,(H,27,29)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJDXFFBSNLNWJD-QFIPXVFZSA-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