ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1194310
CHEMBL1194310
Compound Name SYNTHALIN
ChEMBL Synonyms Anticoman
Max Phase 0
Trade Names
Molecular Formula C12H28N6

Additional synonyms for CHEMBL1194310 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCCCCCCCCCCNC(=N)N
Standard InChI InChI=1S/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15 ...
Download InChI
Standard InChI Key OZZMUVKANAPKGI-UHFFFAOYSA-N

Structural Alerts

There are 12 structural alerts for CHEMBL1194310. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1194310

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
256.4 256.2375 1.64 13 123.79 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 6 1 6 8 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 13.91 .15 -2.85 0 18 0.17

Compound Cross References

ChemSpider ChemSpider:OZZMUVKANAPKGI-UHFFFAOYSA-N
PubChem SID: 11113613 SID: 26751813
Wikipedia Synthalin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1194310



ACToR 111-23-9
ChEBI 84338
eMolecules 1934101
IBM Patent System 6BB0214AA362302DBB90E86E883A94B7
IBM Patents US4022962 US3931316 US6284794 US4115448 US20090194124 US20090139537 US4163022 US20040097562 US20070017821 US6649605 US20050129645 US7553403 US4115447 US20050023153 US20050136017
Nikkaji J9.720I
PubChem 66977
PubChem: Thomson Pharma 15367537
SureChEMBL SCHEMBL336302

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