General Information of the Compound
Compound ID
CP0025238
Compound Name
pyrazolo[4,3-h]quinazoline-3-carboxamide, 19
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Structure
Formula
C22H24N6O
Molecular Weight
388.475
Canonical SMILES
Cn1nc(C(=O)NC2CCCC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
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InChI
InChI=1S/C22H24N6O/c1-28-20-17(19(27-28)21(29)24-15-9-5-6-10-15)12-11-14-13-23-22(26-18(14)20)25-16-7-3-2-4-8-16/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,24,29)(H,23,25,26)
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InChIKey
JBZSHFMYVGCDBI-UHFFFAOYSA-N
Physicochemical Property
logP
3.3917
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
84.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 44235884
SID: 85255183
ChEMBL ID
CHEMBL563028
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: PT01252, Serine/threonine-protein kinase PLK1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS