NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundIndole-3-carboxylaldehyde
NPACT-IdNPACT00668
IUPAC1H-indole-3-carbaldehyde
SynonymsINDOLE-3-CARBOXALDEHYDE;1H-Indole-3-carboxaldehyde;1H-Indole-3-carbaldehyde;Indole-3-aldehyde;3-Formylindole;Indole-3-carbaldehyde;Indol-3-carboxaldehyde;INDOLE-3-CARBOXYALDEHYDE;beta-Indolylaldehyde
PubChem Id10256
ClassUnknown
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOLNJUISKUQQNIM-UHFFFAOYSA-N
InChi1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
SMILESO=Cc1c2c([nH]c1)cccc2
SMARTO=CC1=CNC2=CC=CC=C12
CAS No.487-89-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
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Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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