General Information of the Compound
| Compound ID |
CP0482246
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4206328
Show/Hide
|
||||||||||||||||||
| Formula |
C30H40FN7O2
|
||||||||||||||||||
| Molecular Weight |
549.695
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)Nc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)NC2CCCN(C)C2)c2cc(ccc2n1)-c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40FN7O2/c1-19(18-39)32-29-36-27-13-8-21(20-5-3-6-22(31)15-20)16-26(27)28(37-29)33-23-9-11-24(12-10-23)34-30(40)35-25-7-4-14-38(2)17-25/h3,5-6,8,13,15-16,19,23-25,39H,4,7,9-12,14,17-18H2,1-2H3,(H2,34,35,40)(H2,32,33,36,37)/t19-,23-,24+,25?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXNVIIGGRARSFB-LYEVHHDKSA-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