General Information of the Compound
Compound ID
CP0374276
Compound Name
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-8-phenyloctanamide
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Structure
Formula
C24H39NO
Molecular Weight
357.582
Canonical SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCCCCCc1ccccc1
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InChI
InChI=1S/C24H39NO/c1-19(2)22-17-16-20(3)18-23(22)25-24(26)15-11-6-4-5-8-12-21-13-9-7-10-14-21/h7,9-10,13-14,19-20,22-23H,4-6,8,11-12,15-18H2,1-3H3,(H,25,26)/t20-,22+,23-/m1/s1
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InChIKey
AEXOWBPFMXSRIU-AKIFATBCSA-N
Physicochemical Property
logP
6.1467
Rotatable Bonds
10
Heavy Atom Count
26
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
26

"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: 46861649
SID: 99289628
ChEMBL ID
CHEMBL1095102
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: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 26700 nM
   TI
   LI
   LO
   TS
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 400 nM
   TI
   LI
   LO
   TS
2
IC50 = 500 nM
   TI
   LI
   LO
   TS