General Information of the Compound
| Compound ID |
CP0390900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-phenyl-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33F2NO4
|
||||||||||||||||||
| Molecular Weight |
497.582
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1CN(C[C@@]21C(=O)CO)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33F2NO4/c1-26-9-8-19(34)11-22(26)23(30)12-21-20-10-17-14-32(18-6-4-3-5-7-18)16-28(17,25(36)15-33)27(20,2)13-24(35)29(21,26)31/h3-9,11,17,20-21,23-24,33,35H,10,12-16H2,1-2H3/t17-,20-,21-,23-,24-,26-,27-,28+,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMTCZGYPVZCNQI-PNUMOUSNSA-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