General Information of the Compound
| Compound ID |
CP0062001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-(4-(4-(4-isopropylphenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30N4O
|
||||||||||||||||||
| Molecular Weight |
450.586
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nnc(N2CCN(C[C@H]2C)C(=O)c2ccccc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30N4O/c1-20(2)22-13-15-23(16-14-22)27-25-11-7-8-12-26(25)28(31-30-27)33-18-17-32(19-21(33)3)29(34)24-9-5-4-6-10-24/h4-16,20-21H,17-19H2,1-3H3/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WYYKEIXTWACNOH-OAQYLSRUSA-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