General Information of the Compound
| Compound ID |
CP0478394
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-4-methyl-N-[(1S,2S)-2-[(1-methylindole-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,4-oxazepane-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N4O3
|
||||||||||||||||||
| Molecular Weight |
446.551
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCO[C@H](C1)C(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1ccc2n(C)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N4O3/c1-29-11-5-13-33-23(16-29)26(32)28-24-20-7-4-3-6-17(20)15-21(24)27-25(31)19-8-9-22-18(14-19)10-12-30(22)2/h3-4,6-10,12,14,21,23-24H,5,11,13,15-16H2,1-2H3,(H,27,31)(H,28,32)/t21-,23+,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYCGDJCBFLWXEK-QTJGBDASSA-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