General Information of the Compound
Compound ID
CP0495095
Compound Name
10-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amine
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Structure
Formula
C18H16N6
Molecular Weight
316.368
Canonical SMILES
Cn1cc(cn1)-c1ccc2[nH]c3CCc4cnc(N)nc4-c3c2c1
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InChI
InChI=1S/C18H16N6/c1-24-9-12(8-21-24)10-2-4-14-13(6-10)16-15(22-14)5-3-11-7-20-18(19)23-17(11)16/h2,4,6-9,22H,3,5H2,1H3,(H2,19,20,23)
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InChIKey
DYAFJLRLMLTUOD-UHFFFAOYSA-N
Physicochemical Property
logP
2.7062
Rotatable Bonds
1
Heavy Atom Count
24
Polar Areas
85.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 145901442
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 = 34 nM
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