sardomozide   Click here for help

GtoPdb Ligand ID: 5268

Synonyms: CGP 48664 | CGP48664 | SAM 486A | SAM486A
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 126.63
Molecular weight 230.13
XLogP 1.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=NN=C1CCc2c1cccc2C(=N)N)N
Isomeric SMILES NC(=N/N=C/1\CCc2c1cccc2C(=N)N)N
InChI InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+
InChI Key CYPGNVSXMAUSJY-CXUHLZMHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1E)-1-{[(diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide
International Nonproprietary Names Click here for help
INN number INN
7678 sardomozide
Synonyms Click here for help
CGP 48664 | CGP48664 | SAM 486A | SAM486A
Database Links Click here for help
CAS Registry No. 149400-88-4
ChEMBL Ligand CHEMBL65789
GtoPdb PubChem SID 178101951
PubChem CID 9576789
RCSB PDB Ligand CG
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