General Information of the Compound
Compound ID
CP0572547
Compound Name
2,7-diaminofluoren-9-one
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Structure
Formula
C13H10N2O
Molecular Weight
210.236
Canonical SMILES
Nc1ccc2-c3ccc(N)cc3C(=O)c2c1
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InChI
InChI=1S/C13H10N2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H,14-15H2
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InChIKey
GWTJRFCUTIHVPX-UHFFFAOYSA-N
CAS
2915-84-6
Physicochemical Property
logP
2.0624
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
69.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 97238
SID: 14773300
ChEMBL ID
CHEMBL2442435
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: PT06376, Urea transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000922 MDCK-UT-A1-AQP1-YFP Canis lupus familiaris (Dog)  1
1
IC50 > 50000 nM
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   LI
   LO
   TS