General Information of the Compound
| Compound ID |
CP0864951
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,8R,11R)-5-cyclopropyl-11-(2,4-dichlorobenzyl)-7,8-dimethyl-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 |
C29H36Cl2N4O4
|
||||||||||||||||||
| Molecular Weight |
575.537
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36Cl2N4O4/c1-18-27(36)34-24(16-21-11-12-22(30)17-23(21)31)28(37)33-13-5-7-19-6-3-4-8-25(19)39-15-14-32-26(20-9-10-20)29(38)35(18)2/h3-4,6,8,11-12,17-18,20,24,26,32H,5,7,9-10,13-16H2,1-2H3,(H,33,37)(H,34,36)/t18-,24-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUBFSPDMDRCBJF-UFKXBGGNSA-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