General Information of the Compound
| Compound ID |
CP0920952
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-(2-((1H-indol-3-yl)methyl)-4-(3-(2-morpholinoethoxyimino)butyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37F6N5O3
|
||||||||||||||||||
| Molecular Weight |
653.668
|
||||||||||||||||||
| Canonical SMILES |
C/C(CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37F6N5O3/c1-22(40-46-15-12-41-10-13-45-14-11-41)6-7-42-8-9-43(27(21-42)18-24-20-39-29-5-3-2-4-28(24)29)30(44)23-16-25(31(33,34)35)19-26(17-23)32(36,37)38/h2-5,16-17,19-20,27,39H,6-15,18,21H2,1H3/b40-22-/t27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCKNROOTXBQYOS-YXHYVMOGSA-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