General Information of the Compound
| Compound ID |
CP0495932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-[(1S,2R,5S)-5-[3-(trifluoromethoxy)phenyl]-2-bicyclo[3.1.0]hexanyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33ClF4N4O2
|
||||||||||||||||||
| Molecular Weight |
569.043
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(OC(F)(F)F)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33ClF4N4O2/c1-35-12-14-36(15-13-35)10-3-11-37(26(38)34-20-6-7-24(30)23(29)17-20)25-8-9-27(18-22(25)27)19-4-2-5-21(16-19)39-28(31,32)33/h2,4-7,16-17,22,25H,3,8-15,18H2,1H3,(H,34,38)/t22-,25-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBFYJOJEMNPWGW-AVPJRLCVSA-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