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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL20936
CHEMBL20936
Compound Name BENZAMIDINE
ChEMBL Synonyms SID50105946 | SID47193746 | SID46500343 | SID26732597 | SID11110855 | Benzamidine | Benzamidine HCl | SID90341128
Max Phase 0
Trade Names
Molecular Formula C7H8N2

Additional synonyms for CHEMBL20936 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)c1ccccc1
Standard InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
Standard InChI Key PXXJHWLDUBFPOL-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL20936

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
120.2 120.0687 0.89 0 1 Yes Yes BASE


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- 11.6 .89 -1.11 1 9 2 0.42

Compound Cross References

ChemSpider ChemSpider:PXXJHWLDUBFPOL-UHFFFAOYSA-N
PubChem SID: 11110855 SID: 47193746 SID: 90341128
Wikipedia Benzamidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL20936



PDBe BEN
KEGG Ligand C01784
ChEBI 41033
eMolecules 479296
IBM Patent System F9F9FDEE467E6B8182DC7A7D186D80B9
Patent WO1999011658A1 WO1999065519A1 WO1999045974A1 EP0591605A3 EP0905129A1 EP0245100B1 US5843980 US4223027 WO1995016205A1 US5192689 US6025398 WO1999050263A1 US5004547 US5417981 WO1993015189A1 US5507974 US4325964 US6037457 US5731324 EP0804431A1 EP0583354B1 US5695928 WO1998004247A1 WO1995007715A1 WO1998024784A1 EP0733208B1 EP0917462A1 EP0483237A1 EP0346713B1 US4410457 US5914319 EP0280470B1 US5534374 WO1995024422A1 US5514572 EP0528525B1 EP0113108A2 EP0672658A1 WO1997010222A1 US6165974 US5889005 US6071912 US4720581 US6020490 EP0136195A1 WO1996022288A1 EP0302808B1 EP0155852A2 US5811241 WO1998049563A1 EP0810215A1 EP0815089A1 US6034103 US5981299 WO1998011140A1 WO1999045973A1 EP0159563A1 US5688995 WO1995017677A1 US5969137 US5877181 WO1998011062A1 EP0824515A1 US4638050 WO1997045413A1 US4146647 WO1992021032A1 US5773442 WO2000009542A1 US5958952 EP0858458A1 US5648237 US5834058 WO1996028427A1 US5723495 US4246272 US6090609 EP1009758A1 US5990084 US5883100 US4748128 WO1997016444A1 EP0976722A1 US5047503 WO1996028431A1 EP0929516A1 US4898825 WO1988004303A1 US6048862 WO1993005066A1 EP0624191A1 WO1995004063A1 WO1995000850A1 EP0673781A1 EP0306167A2 EP0377229B1 WO1999050257A1 WO1996016334A2 WO1989007618A1 WO1987002463A1
PubChem: Thomson Pharma 15218879
PubChem 2332
Mcule MCULE-3828251614

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PXXJHWLDUBFPOL-UHFFFAOYSA-N spacer
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