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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3187047
CHEMBL3187047
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H18N3OP

Additional synonyms for CHEMBL3187047 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)P(=O)(N(C)C)N(C)C
Standard InChI InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
Standard InChI Key GNOIPBMMFNIUFM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3187047

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
179.2 179.1187 0.78 3 26.79 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.69 -.2 -.2 0 11 0.6

Structural Alerts

There are 6 structural alerts for CHEMBL3187047. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GNOIPBMMFNIUFM-UHFFFAOYSA-N
PubChem SID: 144209035 SID: 144213102

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3187047



ACToR 680-31-9 630-31-9 24992-55-0
ChEBI 24565
ChemicalBook CB1177006
eMolecules 517472
EPA CompTox Dashboard DTXSID6020694
FDA SRS M42TU5843Z
IBM Patent System BC98BBB968AEA00A9572C86959810787
KEGG Ligand C19250
Mcule MCULE-2181766574
MolPort MolPort-001-758-109
Nikkaji J4.420B
NMRShiftDB 10017000
PubChem 12679
PubChem: Thomson Pharma 14794094
SureChEMBL SCHEMBL3277
ZINC ZINC000038141467

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