General Information of the Compound
| Compound ID |
CP0539724
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2R,3S,6S,10R,11S)-13-methoxy-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(19),12,14(18)-trien-5-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H34N2O7
|
||||||||||||||||||
| Molecular Weight |
570.642
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C[C@H]2CN3C[C@H]4[C@@H]([C@H]3CN2C(C)=O)c2cc3OCOc3c(OC)c2[C@@H]4c2ccccc2)cc2OCOc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H34N2O7/c1-18(36)35-15-24-29-22-12-27-32(42-17-40-27)33(38-3)30(22)28(20-7-5-4-6-8-20)23(29)14-34(24)13-21(35)9-19-10-25(37-2)31-26(11-19)39-16-41-31/h4-8,10-12,21,23-24,28-29H,9,13-17H2,1-3H3/t21-,23+,24+,28+,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWWJMGZERGSHPD-QSXYMPNJSA-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