General Information of the Compound
Compound ID
CP0383409
Compound Name
1-(3-(2-hydroxy-3-morpholinopropoxy)phenyl)-3-phenylpropan-1-one
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Structure
Formula
C22H27NO4
Molecular Weight
369.461
Canonical SMILES
OC(COc1cccc(c1)C(=O)CCc1ccccc1)CN1CCOCC1
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InChI
InChI=1S/C22H27NO4/c24-20(16-23-11-13-26-14-12-23)17-27-21-8-4-7-19(15-21)22(25)10-9-18-5-2-1-3-6-18/h1-8,15,20,24H,9-14,16-17H2
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InChIKey
OPTCSGCPBTURPY-UHFFFAOYSA-N
Physicochemical Property
logP
2.574
Rotatable Bonds
9
Heavy Atom Count
27
Polar Areas
59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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).

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PubChem ID
CID: 11372107
SID: 16465317
ChEMBL ID
CHEMBL222230
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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000253 CCRF/VCR1000 Homo sapiens (Human)  1
1
EC50 = 3475 nM
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