General Information of the Compound
| Compound ID |
CP0452017
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1807271
Show/Hide
|
||||||||||||||||||
| Formula |
C28H35ClFN3O2
|
||||||||||||||||||
| Molecular Weight |
500.058
|
||||||||||||||||||
| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35ClFN3O2/c1-33(2)24-14-12-23(13-15-24)31-26(34)25(18-19-4-8-21(29)9-5-19)32-27(35)28(16-3-17-28)20-6-10-22(30)11-7-20/h4-11,23-25H,3,12-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEJFUNQKPFTDBG-UBFVSLLYSA-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: PT01839, Vasopressin V1a receptor
Protein ID: PT02139, Vasopressin V1a receptor