Drug Information

Drug ID:  NPD1292
Drug Name:  
Molecular Formula:  C14H15N3O
Canonical SMILES:  O=C(c1ccc2c(c1)nccn2)N1CCCCC1
Standard InCHI:  InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
Standard InCHIKey:  ANDGGVOPIJEHOF-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1292

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   DCL000760
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   148184
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  241.12
ALogP  -1.4756
MLogP  2.56
XLogP  1.839
HDA  4
HBD  0
Rotatable Bonds  2
TPSA  46.09
RO5 Violation  0