General Information of the Compound
| Compound ID |
CP0529594
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-N-[[5-[5-(diethylamino)tetrazol-1-yl]-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H35Cl2N7O
|
||||||||||||||||||
| Molecular Weight |
508.498
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.CCN(CC)c1nnnn1-c1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N7O.2ClH/c1-4-30(5-2)24-27-28-29-31(24)20-13-14-22(32-3)19(16-20)17-26-21-12-9-15-25-23(21)18-10-7-6-8-11-18;;/h6-8,10-11,13-14,16,21,23,25-26H,4-5,9,12,15,17H2,1-3H3;2*1H/t21-,23-;;/m0../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZWKVJAHANVPTE-CPTHQKRGSA-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