General Information of the Compound
| Compound ID |
CP0446626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-[(1S,2R,5S)-5-thiophen-3-yl-2-bicyclo[3.1.0]hexanyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32ClFN4OS
|
||||||||||||||||||
| Molecular Weight |
491.076
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccsc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32ClFN4OS/c1-29-10-12-30(13-11-29)8-2-9-31(24(32)28-19-3-4-22(27)21(26)15-19)23-5-7-25(16-20(23)25)18-6-14-33-17-18/h3-4,6,14-15,17,20,23H,2,5,7-13,16H2,1H3,(H,28,32)/t20-,23-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GWFKATTZFMEJMS-QFZRFWILSA-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