General Information of the Compound
| Compound ID |
CP0374704
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-1-phenylpyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
448.354
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccccc2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,26,29)(H3,24,25,27,30)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCQSEFIOHSNABX-SFHVURJKSA-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