General Information of the Compound
| Compound ID |
CP0577247
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C44H40N6O7
|
||||||||||||||||||
| Molecular Weight |
764.839
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OCc4ccccc4)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H40N6O7/c1-53-38-21-30-18-20-49(26-31(30)22-39(38)54-2)19-17-28-13-15-32(16-14-28)50-47-43(46-48-50)34-23-41(56-27-29-9-5-4-6-10-29)40(55-3)24-35(34)45-44(52)42-25-36(51)33-11-7-8-12-37(33)57-42/h4-16,21-25H,17-20,26-27H2,1-3H3,(H,45,52)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDYKJXQJLZOTSB-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 | |||||||||||||||||||
| 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