General Information of the Compound
| Compound ID |
CP0904893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(R)-4-(3,5-bis-trifluoromethyl-benzoyl)-3-(1H-indol-3-ylmethyl)-piperazin-1-yl]-acetaldehyde O-(3-morpholin-4-yl-propyl)-oxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35F6N5O3
|
||||||||||||||||||
| Molecular Weight |
639.641
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C=N\OCCCN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35F6N5O3/c32-30(33,34)24-16-22(17-25(19-24)31(35,36)37)29(43)42-10-9-41(8-6-39-45-13-3-7-40-11-14-44-15-12-40)21-26(42)18-23-20-38-28-5-2-1-4-27(23)28/h1-2,4-6,16-17,19-20,26,38H,3,7-15,18,21H2/b39-6-/t26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JIWGLAUBRTXBNX-XKKPCFNCSA-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