General Information of the Compound
| Compound ID |
CP0426874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R,8R,11S)-5-[(4-chlorophenyl)methyl]-11-[(methylamino)methyl]-8-(propan-2-yl)-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H40ClN5O4
|
||||||||||||||||||
| Molecular Weight |
558.123
|
||||||||||||||||||
| Canonical SMILES |
CNC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H40ClN5O4/c1-19(2)26-29(38)34-24(18-31-3)27(36)33-14-6-8-21-7-4-5-9-25(21)39-16-15-32-23(28(37)35-26)17-20-10-12-22(30)13-11-20/h4-5,7,9-13,19,23-24,26,31-32H,6,8,14-18H2,1-3H3,(H,33,36)(H,34,38)(H,35,37)/t23-,24+,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLHRYBWQMPIXPZ-RMTZWNOUSA-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