General Information of the Compound
| Compound ID |
CP0424364
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(2-(diisopropylamino)ethyl)-1-((3R,6S)-6-(3-((4-methylpiperazin-1-yl)methyl)phenyl)bicyclo[4.1.0]heptan-3-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H49ClFN5O
|
||||||||||||||||||
| Molecular Weight |
598.251
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(CN2CCN(C)CC2)c1)C(=O)Nc1ccc(F)c(Cl)c1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H49ClFN5O/c1-24(2)40(25(3)4)17-18-41(33(42)37-29-9-10-32(36)31(35)21-29)30-11-12-34(22-28(34)20-30)27-8-6-7-26(19-27)23-39-15-13-38(5)14-16-39/h6-10,19,21,24-25,28,30H,11-18,20,22-23H2,1-5H3,(H,37,42)/t28?,30-,34-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSGLJZRUHLHKNC-OJWYRSJGSA-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