General Information of the Compound
| Compound ID |
CP0396429
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4217505
Show/Hide
|
||||||||||||||||||
| Formula |
C28H35FN6O2
|
||||||||||||||||||
| Molecular Weight |
506.626
|
||||||||||||||||||
| Canonical SMILES |
COC[C@H](C)Nc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)NC2CC2)c2cc(ccc2n1)-c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35FN6O2/c1-17(16-37-2)30-27-34-25-13-6-19(18-4-3-5-20(29)14-18)15-24(25)26(35-27)31-21-7-9-22(10-8-21)32-28(36)33-23-11-12-23/h3-6,13-15,17,21-23H,7-12,16H2,1-2H3,(H2,32,33,36)(H2,30,31,34,35)/t17-,21-,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDTXPBSHIMAMRU-BULFRSBZSA-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 | |||||||||||||||||||
| 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: PT04372, Atrial natriuretic peptide receptor 1
Protein ID: PT06432, Atrial natriuretic peptide receptor 1