General Information of the Compound
Compound ID
CP0495093
Compound Name
10-(4-fluorophenyl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amine
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Structure
Formula
C20H15FN4
Molecular Weight
330.366
Canonical SMILES
Nc1ncc2CCc3[nH]c4ccc(cc4c3-c2n1)-c1ccc(F)cc1
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InChI
InChI=1S/C20H15FN4/c21-14-5-1-11(2-6-14)12-3-7-16-15(9-12)18-17(24-16)8-4-13-10-23-20(22)25-19(13)18/h1-3,5-7,9-10,24H,4,8H2,(H2,22,23,25)
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InChIKey
SARRTHAKOFJRJD-UHFFFAOYSA-N
Physicochemical Property
logP
4.1118
Rotatable Bonds
1
Heavy Atom Count
25
Polar Areas
67.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 145901437
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: PT04732, 1-phosphatidylinositol 3-phosphate 5-kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8.2 nM
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