Natural Product: NPC2823

Natural Product ID:  NPC2823
Common Name:   2-[4-(Methylamino)Phenyl]-1H-Quinazolin-4-One
IUPAC Name:   2-[4-(methylamino)phenyl]-1H-quinazolin-4-one
Synonyms:  
Molecular Formula:   C15H13N3O
Standard InCHIKey:  HPAJBWPBFGTJFP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H13N3O/c1-16-11-8-6-10(7-9-11)14-17-13-5-3-2-4-12(13)15(19)18-14/h2-9,16H,1H3,(H,17,18,19)
Canonical SMILES:  CNc1ccc(cc1)c1nc(=O)c2c([nH]1)cccc2
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

  Biological Activity

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC2823 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC2823 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Structure

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External Identifiers

PubChem CID   53360346
ChEMBL   CHEMBL1914948
ZINC  

Physicochemical Properties

Molecular Weight:  251.11
ALogP:  -1.5644
MLogP:  2.67
XLogP:  3.623
# Rotatable Bonds:  3
Polar Surface Area:  53.49
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  19

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Similar NPs/Drugs