General Information of the Compound
| Compound ID |
CP0329277
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-[[3-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxypropyl-methylamino]methyl]phenyl] N-(5-phenylpentyl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H39ClN2O5
|
||||||||||||||||||
| Molecular Weight |
639.192
|
||||||||||||||||||
| Canonical SMILES |
CN(CCCOc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H39ClN2O5/c1-41(27-29-13-8-14-34(24-29)45-38(43)40-21-7-3-6-12-28-10-4-2-5-11-28)22-9-23-44-33-20-17-31-25-35(37(42)46-36(31)26-33)30-15-18-32(39)19-16-30/h2,4-5,8,10-11,13-20,24-26H,3,6-7,9,12,21-23,27H2,1H3,(H,40,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XLSDMIVWGMAJHD-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