indanidine   Click here for help

GtoPdb Ligand ID: 512

Synonyms: Sgd 101/75
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 54.24
Molecular weight 215.12
XLogP 1.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cn1nc2c(c1)c(ccc2)NC1=NCCN1
Isomeric SMILES Cn1nc2c(c1)c(ccc2)NC1=NCCN1
InChI InChI=1S/C11H13N5/c1-16-7-8-9(3-2-4-10(8)15-16)14-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)
InChI Key PNHJTLDBYZVCGW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylindazol-4-amine
International Nonproprietary Names Click here for help
INN number INN
5426 indanidine
Synonyms Click here for help
Sgd 101/75
Database Links Click here for help
BindingDB Ligand 50027072
CAS Registry No. 85392-79-6 (source: Scifinder)
ChEMBL Ligand CHEMBL358373
GtoPdb PubChem SID 135651040
PubChem CID 121925
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Wikipedia Indanidine