General Information of the Compound
Compound ID
CP0420549
Compound Name
2-methyl-N-[7-(2-methylpropanoylamino)-9-oxofluoren-2-yl]propanamide
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Structure
Formula
C21H22N2O3
Molecular Weight
350.418
Canonical SMILES
CC(C)C(=O)Nc1ccc2-c3ccc(NC(=O)C(C)C)cc3C(=O)c2c1
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InChI
InChI=1S/C21H22N2O3/c1-11(2)20(25)22-13-5-7-15-16-8-6-14(23-21(26)12(3)4)10-18(16)19(24)17(15)9-13/h5-12H,1-4H3,(H,22,25)(H,23,26)
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InChIKey
XIZYCOKHOLTPID-UHFFFAOYSA-N
Physicochemical Property
logP
4.087
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 127038158
ChEMBL ID
CHEMBL3742032
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 = 18000 nM
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