General Information of the Compound
| Compound ID |
CP0378113
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-Chloro-pyridine-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-pentyl-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28ClN3O2
|
||||||||||||||||||
| Molecular Weight |
461.993
|
||||||||||||||||||
| Canonical SMILES |
CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cc(Cl)ccn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28ClN3O2/c1-2-3-4-7-19-10-12-23(13-11-19)30-26(32)25-16-20-8-5-6-9-21(20)18-31(25)27(33)24-17-22(28)14-15-29-24/h5-6,8-15,17,25H,2-4,7,16,18H2,1H3,(H,30,32)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LZXKERFHGLQDRK-VWLOTQADSA-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