Summary

IMPPAT Phytochemical identifier: IMPHY005840

Phytochemical name: Zardaverine

Synonymous chemical names:
saradaferin

External chemical identifiers:
CID:5723, ChEMBL:CHEMBL313842, ChEBI:46548, ZINC:ZINC000009230249, FDASRS:TQ358GWH6Y, SureChEMBL:SCHEMBL13334, MolPort-003-960-230

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Chemical structure information

SMILES:
COc1cc(ccc1OC(F)F)c1ccc(=O)[nH]n1

InChI:
InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)

InChIKey:
HJMQDJPMQIHLPB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OCF)F))))))cccc=O)[nH]n6

Functional groups:
CF, c=O, cOC, cn[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc(-c2ccccc2)n[nH]1

Scaffold Graph/Node level:
OC1CCC(C2CCCCC2)NN1

Scaffold Graph level:
CC1CCC(C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazines

ClassyFire Subclass: Pyridazines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP-Likeness score: -1.587

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Chemical structure download