General Information of the Compound
Compound ID
CP0562551
Compound Name
phenoxazin-10-yl-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone
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Formula
C26H26N2O3
Molecular Weight
414.505
Canonical SMILES
O=C(N1c2ccccc2Oc2ccccc12)c1ccc(OCCCN2CCCC2)cc1
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InChI
InChI=1S/C26H26N2O3/c29-26(20-12-14-21(15-13-20)30-19-7-18-27-16-5-6-17-27)28-22-8-1-3-10-24(22)31-25-11-4-2-9-23(25)28/h1-4,8-15H,5-7,16-19H2
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InChIKey
GTRNJJUMVMBKFV-UHFFFAOYSA-N
Physicochemical Property
logP
5.6355
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
42.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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
CHEMBL4794579
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 = 36000 nM
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   LI
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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 = 49000 nM
   TI
   LI
   LO
   TS