General Information of the Compound
| Compound ID |
CP0302416
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(8-chloro-4-methyl-1-oxophthalazin-2-yl)-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H31ClN4O3
|
||||||||||||||||||
| Molecular Weight |
543.067
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc23)c(=O)c2c(Cl)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31ClN4O3/c1-20-24-6-5-7-26(32)29(24)31(38)36(34-20)23-11-9-22(10-12-23)30(37)33-27-14-17-39-28-18-21(8-13-25(27)28)19-35-15-3-2-4-16-35/h5-13,18,27H,2-4,14-17,19H2,1H3,(H,33,37)/t27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NQRUBKWGBPZKBW-HHHXNRCGSA-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