General Information of the Compound
| Compound ID |
CP0547398
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[3-benzyloxy-2-(3,4-dichlorophenylcarboxamido)propanoyl]-1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31Cl2N3O5S
|
||||||||||||||||||
| Molecular Weight |
616.567
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(COCc2ccccc2)NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31Cl2N3O5S/c1-41(38,39)35-20-30(23-9-5-6-10-27(23)35)13-15-34(16-14-30)29(37)26(19-40-18-21-7-3-2-4-8-21)33-28(36)22-11-12-24(31)25(32)17-22/h2-12,17,26H,13-16,18-20H2,1H3,(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MTDWQQRSPHFFLR-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