General Information of the Compound
| Compound ID |
CP0421162
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-{[(2-hydroxy-ethyl)-methyl-amino]-methyl}-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H40ClN5O3
|
||||||||||||||||||
| Molecular Weight |
590.168
|
||||||||||||||||||
| Canonical SMILES |
CN(CCO)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H40ClN5O3/c1-37(18-19-40)23-27-8-4-5-9-31(27)38-14-16-39(17-15-38)33(42)30(20-24-10-12-28(34)13-11-24)36-32(41)29-21-25-6-2-3-7-26(25)22-35-29/h2-13,29-30,35,40H,14-23H2,1H3,(H,36,41)/t29-,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRFFIJFWYSNDEE-LOYHVIPDSA-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