General Information of the Compound
| Compound ID |
CP0449532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-[[2-(4-propan-2-yloxyphenyl)benzoyl]amino]quinoline-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H35FN4O4
|
||||||||||||||||||
| Molecular Weight |
666.753
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H35FN4O4/c1-26(2)50-33-20-14-28(15-21-33)34-10-6-7-11-35(34)40(48)45-37-23-17-30-24-31(16-22-36(30)44-37)39(47)46-38(29-8-4-3-5-9-29)41(49)43-25-27-12-18-32(42)19-13-27/h3-24,26,38H,25H2,1-2H3,(H,43,49)(H,46,47)(H,44,45,48)/t38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRMIRUYCZLMHOB-LHEWISCISA-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