General Information of the Compound
| Compound ID |
CP0888295
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,8R,11R)-11-benzyl-5-sec-butyl-7,8-dimethyl-2,3,4,5,7,8,10,11,14,15-decahydro-1H-benzo[n][1,4,7,10]tetraazacyclononadecine-6,9,12(13H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44N4O3
|
||||||||||||||||||
| Molecular Weight |
532.729
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H44N4O3/c1-5-23(2)29-32(39)36(4)24(3)30(37)35-28(22-25-14-7-6-8-15-25)31(38)34-20-12-11-18-26-16-9-10-17-27(26)19-13-21-33-29/h6-11,14-18,23-24,28-29,33H,5,12-13,19-22H2,1-4H3,(H,34,38)(H,35,37)/b18-11-/t23-,24+,28+,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCUORJSQZFWUDP-GXYQFAJQSA-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