Drug Information

Drug ID:  NPD1567
Drug Name:  
Molecular Formula:  C15H13N3
Canonical SMILES:  Cc1nc([nH]c1c1cccnc1)c1ccccc1
Standard InCHI:  InChI=1S/C15H13N3/c1-11-14(13-8-5-9-16-10-13)18-15(17-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18)
Standard InCHIKey:  CAQAIFUDUGDPFB-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1567

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Drug Structure

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External Identifiers

TTD   DPR000047
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   10421577
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  235.11
ALogP  0.0191
MLogP  2.78
XLogP  4.358
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  41.57
RO5 Violation  0