General Information of the Compound
Compound ID
CP0383459
Compound Name
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-7-phenylheptanamide
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Structure
Formula
C23H37NO
Molecular Weight
343.555
Canonical SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCCCCc1ccccc1
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InChI
InChI=1S/C23H37NO/c1-18(2)21-16-15-19(3)17-22(21)24-23(25)14-10-5-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-13,18-19,21-22H,4-5,7,10-11,14-17H2,1-3H3,(H,24,25)/t19-,21+,22-/m1/s1
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InChIKey
RNSHNAPUHKCKPJ-BAGYTPMASA-N
Physicochemical Property
logP
5.7566
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
25

"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: 46887687
ChEMBL ID
CHEMBL1095101
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 = 400 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)  1
1
IC50 = 400 nM
   TI
   LI
   LO
   TS