General Information of the Compound
Compound ID
CP0860294
Compound Name
N-cyclopropyl-5-(9H-fluoren-3-yl)penta-2,4-dienamide
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Structure
Formula
C21H19NO
Molecular Weight
301.389
Canonical SMILES
O=C(/C=C/C=C/c1ccc2c(c1)-c1ccccc1C2)NC1CC1
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InChI
InChI=1S/C21H19NO/c23-21(22-18-11-12-18)8-4-1-5-15-9-10-17-14-16-6-2-3-7-19(16)20(17)13-15/h1-10,13,18H,11-12,14H2,(H,22,23)/b5-1+,8-4+
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InChIKey
CJSBTRINGAHLPW-LZSLGQGWSA-N
Physicochemical Property
logP
4.1058
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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: 101884568
ChEMBL ID
CHEMBL3596741
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS