General Information of the Compound
| Compound ID |
CP0577130
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R)-4-[(1S,2R,13S,14S,17R,18R)-2,9,9,18-tetramethyl-6-oxa-5,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,10-trien-17-yl]pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H38N2O3
|
||||||||||||||||||
| Molecular Weight |
426.601
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5nonc5C[C@]4(C)[C@H]3CC[C@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H38N2O3/c1-15(6-11-22(29)30)17-8-9-18-16-7-10-21-24(2,3)23-20(27-31-28-23)14-26(21,5)19(16)12-13-25(17,18)4/h10,15-19H,6-9,11-14H2,1-5H3,(H,29,30)/t15-,16+,17-,18+,19+,25-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXZMOTYYFXLLQE-GBDGOIJOSA-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 | |||||||||||||||||||
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