General Information of the Compound
| Compound ID |
CP0536764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-(3,4-dichlorophenyl)-5-(6-fluoro-1-methyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl)-N-[(2R)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H41Cl2FN4O5
|
||||||||||||||||||
| Molecular Weight |
699.651
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H41Cl2FN4O5/c1-35(25-9-11-28(37)29(38)22-25,33(46)41-30(32(45)40-16-20-44)21-24-7-4-3-5-8-24)13-6-17-43-18-14-36(15-19-43)27-23-26(39)10-12-31(27)42(2)34(47)48-36/h3-5,7-12,22-23,30,44H,6,13-21H2,1-2H3,(H,40,45)(H,41,46)/t30-,35-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJRDJJXQKVSGAM-QTQRRKOQSA-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
Protein ID: PT01199, Neuromedin-K receptor
Protein ID: PT01410, Substance-P receptor