General Information of the Compound
| Compound ID |
CP0901768
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,8R,11R)-11-benzyl-5-sec-butyl-8-(hydroxymethyl)-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 |
C29H40N4O5
|
||||||||||||||||||
| Molecular Weight |
524.662
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CO)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H40N4O5/c1-3-20(2)26-29(37)33-24(19-34)28(36)32-23(18-21-10-5-4-6-11-21)27(35)31-15-9-13-22-12-7-8-14-25(22)38-17-16-30-26/h4-8,10-12,14,20,23-24,26,30,34H,3,9,13,15-19H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t20-,23+,24+,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPXDYEXVNWYJPO-YLJDOISLSA-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