General Information of the Compound
Compound ID
CP0552206
Compound Name
[4-[3-(dimethylamino)propoxy]phenyl]-phenoxazin-10-ylmethanone
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Formula
C24H24N2O3
Molecular Weight
388.467
Canonical SMILES
CN(C)CCCOc1ccc(cc1)C(=O)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C24H24N2O3/c1-25(2)16-7-17-28-19-14-12-18(13-15-19)24(27)26-20-8-3-5-10-22(20)29-23-11-6-4-9-21(23)26/h3-6,8-15H,7,16-17H2,1-2H3
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InChIKey
KVZBDHYSUJWKQP-UHFFFAOYSA-N
Physicochemical Property
logP
5.1013
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
42.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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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ChEMBL ID
CHEMBL4742798
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: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 44000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 55000 nM
   TI
   LI
   LO
   TS