General Information of the Compound
Compound ID
CP0565952
Compound Name
3-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
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Structure
Formula
C20H20N2O2
Molecular Weight
320.392
Canonical SMILES
COc1cccc(c1)C(=O)NC1CCc2c(C1)[nH]c1ccccc21
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InChI
InChI=1S/C20H20N2O2/c1-24-15-6-4-5-13(11-15)20(23)21-14-9-10-17-16-7-2-3-8-18(16)22-19(17)12-14/h2-8,11,14,22H,9-10,12H2,1H3,(H,21,23)
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InChIKey
MRFKUARFQWLMOS-UHFFFAOYSA-N
Physicochemical Property
logP
3.4638
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
54.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 84579431
ChEMBL ID
CHEMBL4077480
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: PT06122, Retinoblastoma-associated protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS