General Information of the Compound
| Compound ID |
CP0472376
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R)-2-(1,2-oxazol-4-yl)-N'-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3,3,3-trifluoropropyl)butanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22F3N5O4
|
||||||||||||||||||
| Molecular Weight |
513.476
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cnoc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F3N5O4/c26-25(27,28)11-10-17(19(21(29)34)15-12-30-37-13-15)23(35)33-22-24(36)31-18-9-5-4-8-16(18)20(32-22)14-6-2-1-3-7-14/h1-9,12-13,17,19,22H,10-11H2,(H2,29,34)(H,31,36)(H,33,35)/t17-,19+,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPYFEYKGJCBKKX-ZWCUEREDSA-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
Protein ID: PT04100, Neurogenic locus notch homolog protein 1
Protein ID: PT04261, Neurogenic locus notch homolog protein 3