General Information of the Compound
Compound ID
CP0468070
Compound Name
6-benzyl-3-(3-phenylmethoxyphenyl)-1,4-dihydropyrido[4,3-d]pyrimidine-2,7-dione
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Structure
Formula
C27H23N3O3
Molecular Weight
437.499
Canonical SMILES
O=C1Nc2cc(=O)n(Cc3ccccc3)cc2CN1c1cccc(OCc2ccccc2)c1
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InChI
InChI=1S/C27H23N3O3/c31-26-15-25-22(17-29(26)16-20-8-3-1-4-9-20)18-30(27(32)28-25)23-12-7-13-24(14-23)33-19-21-10-5-2-6-11-21/h1-15,17H,16,18-19H2,(H,28,32)
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InChIKey
BHMKGMWMMMZMJN-UHFFFAOYSA-N
Physicochemical Property
logP
5.0277
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
63.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 137348721
ChEMBL ID
CHEMBL4065018
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: PT07001, ATP-dependent RNA helicase DHX29
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06173, U5 small nuclear ribonucleoprotein 200 kDa helicase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 790 nM
   TI
   LI
   LO
   TS