General Information of the Compound
| Compound ID |
CP0920540
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-{[(3R)-3-[(R)-Cyclohexyl(hydroxy)methyl]-1-(2-methoxyethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)-N-methylbenzamidehydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H45ClN4O6
|
||||||||||||||||||
| Molecular Weight |
629.198
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CCOC)cc2)cc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H44N4O6.ClH/c1-34-30(39)25-10-14-27(15-11-25)43-26-12-8-23(9-13-26)22-36-18-16-33(17-19-36)32(41)35-28(31(40)37(33)20-21-42-2)29(38)24-6-4-3-5-7-24;/h8-15,24,28-29,38H,3-7,16-22H2,1-2H3,(H,34,39)(H,35,41);1H/t28-,29-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRCZOELOVBGMTE-PQQSRXGVSA-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