General Information of the Compound
Compound ID
CP0377548
Compound Name
(5-methyl-2-propan-2-ylphenyl) N-(4-tert-butylphenyl)carbamate
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Structure
Formula
C21H27NO2
Molecular Weight
325.452
Canonical SMILES
CC(C)c1ccc(C)cc1OC(=O)Nc1ccc(cc1)C(C)(C)C
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InChI
InChI=1S/C21H27NO2/c1-14(2)18-12-7-15(3)13-19(18)24-20(23)22-17-10-8-16(9-11-17)21(4,5)6/h7-14H,1-6H3,(H,22,23)
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InChIKey
ZAXOAIRBEHYNES-UHFFFAOYSA-N
Physicochemical Property
logP
6.02682
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 70693224
ChEMBL ID
CHEMBL2087070
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)  2
1
EC50 = 4100 nM
   TI
   LI
   LO
   TS
2
IC50 = 24400 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 = 6100 nM
   TI
   LI
   LO
   TS
2
IC50 = 11800 nM
   TI
   LI
   LO
   TS