General Information of the Compound
| Compound ID |
CP0509343
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-[(1S,2R,5S)-5-(4-methylsulfonylphenyl)-2-bicyclo[3.1.0]hexanyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36ClFN4O3S
|
||||||||||||||||||
| Molecular Weight |
563.139
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)S(C)(=O)=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36ClFN4O3S/c1-32-14-16-33(17-15-32)12-3-13-34(27(35)31-21-6-9-25(30)24(29)18-21)26-10-11-28(19-23(26)28)20-4-7-22(8-5-20)38(2,36)37/h4-9,18,23,26H,3,10-17,19H2,1-2H3,(H,31,35)/t23-,26-,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GADPOBKQVALWOX-KODFZCBSSA-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