General Information of the Compound
| Compound ID |
CP0532246
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,6S,10R,11S)-5-acetyl-6-benzyl-13-methoxy-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(19),12,14(18)-trien-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30N2O5
|
||||||||||||||||||
| Molecular Weight |
510.59
|
||||||||||||||||||
| Canonical SMILES |
COc1c2OCOc2cc2[C@@H]3[C@H]4CN([C@@H](Cc5ccccc5)CN4C(=O)[C@@H]3[C@H](c12)c1ccccc1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30N2O5/c1-18(34)32-16-23-26-22-14-24-29(38-17-37-24)30(36-2)27(22)25(20-11-7-4-8-12-20)28(26)31(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,25-26,28H,13,15-17H2,1-2H3/t21-,23+,25-,26+,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTOITEGQWZFNRK-NCPBTPGXSA-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