General Information of the Compound
| Compound ID |
CP0503923
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-(4-(4-(4-(dimethylamino)phenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N5O
|
||||||||||||||||||
| Molecular Weight |
451.574
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)N(C)C)c2ccccc12)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N5O/c1-20-19-32(28(34)22-9-5-4-6-10-22)17-18-33(20)27-25-12-8-7-11-24(25)26(29-30-27)21-13-15-23(16-14-21)31(2)3/h4-16,20H,17-19H2,1-3H3/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZLWZFEJOMGNVHJ-HXUWFJFHSA-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