General Information of the Compound
Compound ID
CP0489478
Compound Name
2-(4-(4-methoxyphenyl)piperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)ethanamine
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Structure
Formula
C26H34N4O2
Molecular Weight
434.584
Canonical SMILES
CCCc1nc(c(CNCCN2CCN(CC2)c2ccc(OC)cc2)o1)-c1ccccc1
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InChI
InChI=1S/C26H34N4O2/c1-3-7-25-28-26(21-8-5-4-6-9-21)24(32-25)20-27-14-15-29-16-18-30(19-17-29)22-10-12-23(31-2)13-11-22/h4-6,8-13,27H,3,7,14-20H2,1-2H3
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InChIKey
RBLNWJMOLVPPAV-UHFFFAOYSA-N
Physicochemical Property
logP
4.2145
Rotatable Bonds
10
Heavy Atom Count
32
Polar Areas
53.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 49798178
SID: 135628005
ChEMBL ID
CHEMBL1171598
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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 9200 nM
   TI
   LI
   LO
   TS