General Information of the Compound
| Compound ID |
CP0383428
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-benzylamino-3-(3,4-dichlorobenzyloxy)-1-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-(2S)-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33Cl2N3O4S
|
||||||||||||||||||
| Molecular Weight |
602.584
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33Cl2N3O4S/c1-40(37,38)35-21-30(24-9-5-6-10-28(24)35)13-15-34(16-14-30)29(36)27(33-18-22-7-3-2-4-8-22)20-39-19-23-11-12-25(31)26(32)17-23/h2-12,17,27,33H,13-16,18-21H2,1H3/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MERHBTZUAONODB-MHZLTWQESA-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