General Information of the Compound
| Compound ID |
CP0454574
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'N-[1-benzyl(methyl)carbamoyl-3-phenyl-(1S)-propyl]-1-methylsulfanylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1'-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H38N4O2S
|
||||||||||||||||||
| Molecular Weight |
542.749
|
||||||||||||||||||
| Canonical SMILES |
CSN1CC2(CCN(CC2)C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38N4O2S/c1-34(23-26-13-7-4-8-14-26)30(37)28(18-17-25-11-5-3-6-12-25)33-31(38)35-21-19-32(20-22-35)24-36(39-2)29-16-10-9-15-27(29)32/h3-16,28H,17-24H2,1-2H3,(H,33,38)/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LVEVJTCPEKIPCM-NDEPHWFRSA-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor