General Information of the Compound
Compound ID |
CP0543859
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
tert-butyl N-[4-[[2-[8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]butyl]carbamate
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C37H51N5O5
|
||||||||||||||||||
Molecular Weight |
645.845
|
||||||||||||||||||
Canonical SMILES |
CC(C)(C)OC(=O)NCCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C37H51N5O5/c1-36(2,3)47-35(46)39-23-11-10-22-38-32(43)26-41-27-42(31-14-8-5-9-15-31)37(34(41)45)20-24-40(25-21-37)33(44)30-18-16-29(17-19-30)28-12-6-4-7-13-28/h5,8-9,14-19,28H,4,6-7,10-13,20-27H2,1-3H3,(H,38,43)(H,39,46)
Show/Hide
|
||||||||||||||||||
InChIKey |
ZDGXEEXFKRKORW-UHFFFAOYSA-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