General Information of the Compound
| Compound ID |
CP0502199
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-{4-[(R)-(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-ylmethyl}-furan-2-ylmethyl)-N-hydroxyurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27ClN4O3
|
||||||||||||||||||
| Molecular Weight |
454.958
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)N(O)Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27ClN4O3/c25-20-8-6-19(7-9-20)23(18-4-2-1-3-5-18)28-14-12-27(13-15-28)16-21-10-11-22(32-21)17-29(31)24(26)30/h1-11,23,31H,12-17H2,(H2,26,30)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WTUOCEYWCJZOOS-HSZRJFAPSA-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