General Information of the Compound
| Compound ID |
CP0559296
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(1-methylimidazol-4-yl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methylindol-3-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38N6O6S
|
||||||||||||||||||
| Molecular Weight |
622.748
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38N6O6S/c1-20-14-37(21(2)18-38)31(40)25-13-23(33-29(39)12-22-15-35(4)26-9-7-6-8-24(22)26)10-11-27(25)43-28(20)16-36(5)44(41,42)30-17-34(3)19-32-30/h6-11,13,15,17,19-21,28,38H,12,14,16,18H2,1-5H3,(H,33,39)/t20-,21-,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJGLVIVTRZATAW-CJYOKPGZSA-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