General Information of the Compound
Compound ID
CP0390844
Compound Name
N-[3-(diethylamino)propyl]-1-(4-methoxynaphthalen-1-yl)sulfonyl-2,3-dihydroindole-3-carboxamide
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Structure
Formula
C27H33N3O4S
Molecular Weight
495.645
Canonical SMILES
CCN(CC)CCCNC(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(OC)c2ccccc12
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InChI
InChI=1S/C27H33N3O4S/c1-4-29(5-2)18-10-17-28-27(31)23-19-30(24-14-9-8-11-20(23)24)35(32,33)26-16-15-25(34-3)21-12-6-7-13-22(21)26/h6-9,11-16,23H,4-5,10,17-19H2,1-3H3,(H,28,31)
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InChIKey
VEYRIJHOTZSUIN-UHFFFAOYSA-N
Physicochemical Property
logP
3.989
Rotatable Bonds
10
Heavy Atom Count
35
Polar Areas
78.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 46890887
ChEMBL ID
CHEMBL1084317
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 79.43 nM
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