General Information of the Compound
| Compound ID |
CP0917241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-arylpiperazine derivative
Show/Hide
|
||||||||||||||||||
| Formula |
C32H38ClN7O4
|
||||||||||||||||||
| Molecular Weight |
620.154
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3cccc(Cl)c3)CC2)NC#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38ClN7O4/c1-20-27(30(41)43-3)29(28(21(2)38-20)31(42)44-4)22-7-5-9-25(17-22)39-32(37-19-34)36-14-13-35-24-11-15-40(16-12-24)26-10-6-8-23(33)18-26/h5-10,17-18,24,29,35,41H,11-16H2,1-4H3,(H2,36,37,39)/b30-27+
Show/Hide
|
||||||||||||||||||
| InChIKey |
APSGCDZTYOYSFZ-KDJFERLWSA-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