General Information of the Compound
| Compound ID |
CP0479500
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,5R)-1-(2-chloro-3-fluorophenyl)-3-[5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
429.883
|
||||||||||||||||||
| Canonical SMILES |
COCc1nnc(N2C[C@@H]3C[C@@]3(C2)c2cccc(F)c2Cl)n1-c1ccc(OC)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClFN5O2/c1-29-11-17-25-26-20(28(17)14-6-7-18(30-2)24-9-14)27-10-13-8-21(13,12-27)15-4-3-5-16(23)19(15)22/h3-7,9,13H,8,10-12H2,1-2H3/t13-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IVBNDCRHXGVWPI-ZSEKCTLFSA-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01840, Vasopressin V1b receptor
Protein ID: PT01648, Vasopressin V2 receptor