General Information of the Compound
Compound ID
CP0508943
Compound Name
US9012651, 237
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Structure
Formula
C19H28N2OSi
Molecular Weight
328.532
Canonical SMILES
CC(C)(CO)NCc1cccc(n1)-c1cccc(c1)[Si](C)(C)C
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InChI
InChI=1S/C19H28N2OSi/c1-19(2,14-22)20-13-16-9-7-11-18(21-16)15-8-6-10-17(12-15)23(3,4)5/h6-12,20,22H,13-14H2,1-5H3
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InChIKey
IYTXDWQVLNFCPR-UHFFFAOYSA-N
Physicochemical Property
logP
3.1543
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
45.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 68312625
ChEMBL ID
CHEMBL3696402
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: PT04494, Transient receptor potential cation channel subfamily V member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5750 nM
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