General Information of the Compound
| Compound ID |
CP0127379
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-fluoro-3-[4-(4-iodobenzoyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22FIN4O3
|
||||||||||||||||||
| Molecular Weight |
596.4
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccc(I)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22FIN4O3/c28-23-10-5-17(16-24-20-3-1-2-4-21(20)25(34)31-30-24)15-22(23)27(36)33-13-11-32(12-14-33)26(35)18-6-8-19(29)9-7-18/h1-10,15H,11-14,16H2,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOCIPUHZHXLQMK-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 | |||||||||||||||||||