General Information of the Compound
Compound ID
CP0371806
Compound Name
CAS_15991674
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Structure
Formula
C24H28N2O4S
Molecular Weight
440.565
Canonical SMILES
CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3)c(C)c2c1
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InChI
InChI=1S/C24H28N2O4S/c1-16-11-17(2)15-26(14-16)31(28,29)20-9-10-22-21(12-20)18(3)23(30-22)24(27)25-13-19-7-5-4-6-8-19/h4-10,12,16-17H,11,13-15H2,1-3H3,(H,25,27)
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InChIKey
DNRXFINWYKFCPN-UHFFFAOYSA-N
Physicochemical Property
logP
4.33782
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
79.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 15991674
ChEMBL ID
CHEMBL272350
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)  1
1
Ki = 77 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)  1
1
Ki = 6600 nM
   TI
   LI
   LO
   TS