General Information of the Compound
| Compound ID |
CP0507724
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'N-[1-benzyl(methyl)carbamoyl-2-(1H-3-indolyl)-(1S)-ethyl]spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H36N4O2
|
||||||||||||||||||
| Molecular Weight |
520.677
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36N4O2/c1-36(23-24-9-3-2-4-10-24)31(38)30(21-26-22-34-29-14-8-6-12-27(26)29)35-32(39)37-19-17-33(18-20-37)16-15-25-11-5-7-13-28(25)33/h2-14,22,30,34H,15-21,23H2,1H3,(H,35,39)/t30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCBFFODEEMUOND-PMERELPUSA-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