General Information of the Compound
| Compound ID |
CP0881884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-Amino-N-(4-(((2S,5R)-5-((R)-hydroxy(pyridin-3-yl)-methyl)pyrrolidin-2-yl)methyl)phenyl)-5,6-dihydro-4Hcyclopenta[d]thiazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O2S
|
||||||||||||||||||
| Molecular Weight |
449.58
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O2S/c25-24-29-21-18(8-10-20(21)32-24)23(31)28-16-5-3-14(4-6-16)12-17-7-9-19(27-17)22(30)15-2-1-11-26-13-15/h1-6,11,13,17-19,22,27,30H,7-10,12H2,(H2,25,29)(H,28,31)/t17-,18+,19+,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMWUTLVINMJYPK-JZJXAQOMSA-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor