General Information of the Compound
| Compound ID |
CP0155901
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20BrN3O5
|
||||||||||||||||||
| Molecular Weight |
462.3
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNUGDTFIICVXIP-GFCCVEGCSA-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 | |||||||||||||||||||