General Information of the Compound
| Compound ID |
CP0911458
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,8R,11R)-4-acetyl-11-benzyl-7,8-dimethyl-5-propyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H42N4O5
|
||||||||||||||||||
| Molecular Weight |
550.7
|
||||||||||||||||||
| Canonical SMILES |
CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN1C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H42N4O5/c1-5-12-27-31(39)34(4)22(2)29(37)33-26(21-24-13-7-6-8-14-24)30(38)32-18-11-16-25-15-9-10-17-28(25)40-20-19-35(27)23(3)36/h6-10,13-15,17,22,26-27H,5,11-12,16,18-21H2,1-4H3,(H,32,38)(H,33,37)/t22-,26-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QWQDRFHPKICHSI-XCRWMPKNSA-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