General Information of the Compound
| Compound ID |
CP0157181
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-((S)-3-amino-4,4-difluorobutyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2H-pyrrole-1(5H)-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25F4N3O
|
||||||||||||||||||
| Molecular Weight |
435.465
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)N1CC(=C[C@@]1(CC[C@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F4N3O/c1-29(2)22(31)30-14-15(18-12-17(24)8-9-19(18)25)13-23(30,11-10-20(28)21(26)27)16-6-4-3-5-7-16/h3-9,12-13,20-21H,10-11,14,28H2,1-2H3/t20-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZPQYTXPEIHPIJ-REWPJTCUSA-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 | |||||||||||||||||||