General Information of the Compound
| Compound ID |
CP0527678
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[2-[[2-[8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H47N5O5
|
||||||||||||||||||
| Molecular Weight |
617.791
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NCCNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H47N5O5/c1-34(2,3)45-33(44)37-21-20-36-30(41)24-39-25-40(29-12-8-5-9-13-29)35(32(39)43)18-22-38(23-19-35)31(42)28-16-14-27(15-17-28)26-10-6-4-7-11-26/h5,8-9,12-17,26H,4,6-7,10-11,18-25H2,1-3H3,(H,36,41)(H,37,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
APYKQKXLNZTACO-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