General Information of the Compound
| Compound ID |
CP0253454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[[4-[[1-(hydroxymethyl)cyclopropyl]carbamoyl]phenyl]methyl]-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25N3O5
|
||||||||||||||||||
| Molecular Weight |
483.524
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1c(Cc2ccc(cc2)C(=O)NC2(CO)CC2)c(=O)c2cccnc2n1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25N3O5/c1-36-27(35)23-22(16-18-9-11-19(12-10-18)26(34)30-28(17-32)13-14-28)24(33)21-8-5-15-29-25(21)31(23)20-6-3-2-4-7-20/h2-12,15,32H,13-14,16-17H2,1H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIOSNPUPZXNFLN-UHFFFAOYSA-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