General Information of the Compound
| Compound ID |
CP0573479
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-butyl-4-hydroxy-3-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propan-2-ylanilino)-1H-pyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35N3O3
|
||||||||||||||||||
| Molecular Weight |
473.617
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N(C(C)C)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35N3O3/c1-4-5-16-24-26(32(20(2)3)23-14-10-7-11-15-23)27(33)25(28(34)30-24)29(35)31-18-17-22(19-31)21-12-8-6-9-13-21/h6-15,20,22H,4-5,16-19H2,1-3H3,(H2,30,33,34)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKVQZRCATVCBPA-QFIPXVFZSA-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 | |||||||||||||||||||
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