General Information of the Compound
| Compound ID |
CP0290684
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[((R)-N-Cyclohexyl-3-methyl-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
516.517
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35Cl2N5O/c1-19-18-34(16-15-30-19)27(32-23-5-3-2-4-6-23)33-24-11-8-21(9-12-24)26(35)31-14-13-20-7-10-22(28)17-25(20)29/h7-12,17,19,23,30H,2-6,13-16,18H2,1H3,(H,31,35)(H,32,33)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBZOSRKDAHPMMH-LJQANCHMSA-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