General Information of the Compound
| Compound ID |
CP0457310
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-benzyloxy-2-(4-methoxybenzylamino)-1-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-1-propanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N4O6S
|
||||||||||||||||||
| Molecular Weight |
578.691
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(COCc2ccccc2)NCc2cccc(c2)[N+]([O-])=O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N4O6S/c1-41(38,39)33-22-30(26-12-5-6-13-28(26)33)14-16-32(17-15-30)29(35)27(21-40-20-23-8-3-2-4-9-23)31-19-24-10-7-11-25(18-24)34(36)37/h2-13,18,27,31H,14-17,19-22H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYPXYFPMCYFYRE-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