General Information of the Compound
| Compound ID |
CP0469505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-2-[5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31N5O3
|
||||||||||||||||||
| Molecular Weight |
461.566
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1noc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31N5O3/c27-25(33)22-17-19-7-1-2-8-20(19)18-31(22)24(32)11-5-6-12-29-13-15-30(16-14-29)26-21-9-3-4-10-23(21)34-28-26/h1-4,7-10,22H,5-6,11-18H2,(H2,27,33)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVOMKSNFGJWLCS-QFIPXVFZSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7