General Information of the Compound
Compound ID
CP0558655
Compound Name
3-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
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Structure
Formula
C19H17FN2O
Molecular Weight
308.356
Canonical SMILES
Fc1cccc(c1)C(=O)NC1CCc2c(C1)[nH]c1ccccc21
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InChI
InChI=1S/C19H17FN2O/c20-13-5-3-4-12(10-13)19(23)21-14-8-9-16-15-6-1-2-7-17(15)22-18(16)11-14/h1-7,10,14,22H,8-9,11H2,(H,21,23)
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InChIKey
DPOIOGOEBMEHPV-UHFFFAOYSA-N
Physicochemical Property
logP
3.5943
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
23

"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: 84582020
ChEMBL ID
CHEMBL4060594
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
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