General Information of the Compound
Compound ID
CP0540426
Compound Name
tert-butyl N-[3-[3-(piperidine-1-carbonyl)carbazol-9-yl]propyl]carbamate
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Structure
Formula
C26H33N3O3
Molecular Weight
435.568
Canonical SMILES
CC(C)(C)OC(=O)NCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCCCC1
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InChI
InChI=1S/C26H33N3O3/c1-26(2,3)32-25(31)27-14-9-17-29-22-11-6-5-10-20(22)21-18-19(12-13-23(21)29)24(30)28-15-7-4-8-16-28/h5-6,10-13,18H,4,7-9,14-17H2,1-3H3,(H,27,31)
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InChIKey
WAJGUNBWBVGVTP-UHFFFAOYSA-N
Physicochemical Property
logP
5.3354
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
63.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 73352609
ChEMBL ID
CHEMBL2441470
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2690 nM
   TI
   LI
   LO
   TS