General Information of the Compound
Compound ID
CP0376719
Compound Name
Biphenyl-3-yl-(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbamate
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Structure
Formula
C23H29NO2
Molecular Weight
351.49
Canonical SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(c1)-c1ccccc1
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InChI
InChI=1S/C23H29NO2/c1-16(2)21-13-12-17(3)14-22(21)24-23(25)26-20-11-7-10-19(15-20)18-8-5-4-6-9-18/h4-11,15-17,21-22H,12-14H2,1-3H3,(H,24,25)/t17-,21+,22-/m1/s1
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InChIKey
HMVLUWSEBMKRRF-VOQZNFBZSA-N
Physicochemical Property
logP
5.9028
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 46887777
ChEMBL ID
CHEMBL1098096
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 = 31000 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 = 50 nM
   TI
   LI
   LO
   TS
2
IC50 = 1500 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 7100 nM
   TI
   LI
   LO
   TS