General Information of the Compound
Compound ID
CP0505610
Compound Name
1-(9H-Carbazol-4-yloxy)-3-[(1-propyl-piperidin-4-ylmethyl)-amino]-propan-2-ol
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Structure
Formula
C24H33N3O2
Molecular Weight
395.547
Canonical SMILES
CCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
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InChI
InChI=1S/C24H33N3O2/c1-2-12-27-13-10-18(11-14-27)15-25-16-19(28)17-29-23-9-5-8-22-24(23)20-6-3-4-7-21(20)26-22/h3-9,18-19,25-26,28H,2,10-17H2,1H3/t19-/m0/s1
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InChIKey
HWVKZUPIKDGEBA-IBGZPJMESA-N
Physicochemical Property
logP
3.7724
Rotatable Bonds
9
Heavy Atom Count
29
Polar Areas
60.52
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 44331551
ChEMBL ID
CHEMBL316649
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: PT01493, Beta-3 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 870 nM
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