General Information of the Compound
| Compound ID |
CP0948385
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[(2R)-3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H29NO3
|
||||||||||||||||||
| Molecular Weight |
307.434
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)c1ccc(OC[C@H](O)CN(C(C)C)C(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H29NO3/c1-6-18(21)15-7-9-17(10-8-15)22-12-16(20)11-19(13(2)3)14(4)5/h7-10,13-14,16,20H,6,11-12H2,1-5H3/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHMRUVYUHYNDCM-MRXNPFEDSA-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