General Information of the Compound
Compound ID
CP0454037
Compound Name
10-[4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carbonyl]oxydecyl-trimethylazanium
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Structure
Formula
C31H47N4O5+
Molecular Weight
555.74
Canonical SMILES
CC(C)OC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OCCCCCCCCCC[N+](C)(C)C
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InChI
InChI=1S/C31H46N4O5/c1-21(2)39-31(37)27-23(4)32-22(3)26(28(27)24-17-16-18-25-29(24)34-40-33-25)30(36)38-20-15-13-11-9-8-10-12-14-19-35(5,6)7/h16-18,21,28H,8-15,19-20H2,1-7H3/p+1
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InChIKey
MPZILEAILJCTEU-UHFFFAOYSA-O
Physicochemical Property
logP
5.7794
Rotatable Bonds
15
Heavy Atom Count
40
Polar Areas
103.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
40

"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: 118738348
ChEMBL ID
CHEMBL3436049
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: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 70 nM
   TI
   LI
   LO
   TS