General Information of the Compound
| Compound ID |
CP0179236
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-[[methyl-[3-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propyl]amino]methyl]phenyl] N-heptylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H42N2O5
|
||||||||||||||||||
| Molecular Weight |
534.697
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H42N2O5/c1-3-4-5-6-9-18-33-32(36)38-26-13-10-12-24(21-26)23-34(2)19-11-20-37-25-16-17-28-27-14-7-8-15-29(27)31(35)39-30(28)22-25/h10,12-13,16-17,21-22H,3-9,11,14-15,18-20,23H2,1-2H3,(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAZCMESEHYLZER-UHFFFAOYSA-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