General Information of the Compound
Compound ID
CP0400920
Compound Name
ethyl 5-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-phenyl-2-propan-2-ylpentanoate
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Structure
Formula
C27H37N3O2
Molecular Weight
435.612
Canonical SMILES
CCOC(=O)C(CCCN(C)CCCc1nc2ccccc2[nH]1)(C(C)C)c1ccccc1
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InChI
InChI=1S/C27H37N3O2/c1-5-32-26(31)27(21(2)3,22-13-7-6-8-14-22)18-12-20-30(4)19-11-17-25-28-23-15-9-10-16-24(23)29-25/h6-10,13-16,21H,5,11-12,17-20H2,1-4H3,(H,28,29)
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InChIKey
PVDJWOVUBFJXRE-UHFFFAOYSA-N
Physicochemical Property
logP
5.3646
Rotatable Bonds
12
Heavy Atom Count
32
Polar Areas
58.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44577778
SID: 96036288
ChEMBL ID
CHEMBL467174
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 = 250 nM
   TI
   LI
   LO
   TS