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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9946
CHEMBL9946
Compound Name CP-154526
ChEMBL Synonyms CP-154526 | CP-154526-1
Max Phase 0
Trade Names
Molecular Formula C23H32N4

Additional synonyms for CHEMBL9946 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN(CC)c1nc(C)nc2c1c(C)cn2c3c(C)cc(C)cc3C
Standard InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)2 ...
Download InChI
Standard InChI Key FHQYJZCJRZHINA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL9946

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
364.5 364.2627 6.61 6 33.95 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.97 5.97 5.77 3 27 0.49

Structural Alerts

There are 1 structural alerts for CHEMBL9946. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FHQYJZCJRZHINA-UHFFFAOYSA-N
Wikipedia CP-154,526

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9946



BindingDB 50369802 50058163
FDA SRS 9A549FB00R
Guide to Pharmacology 3495
IBM Patent System 4D34329B6DC37BF90A0CDD2C11B0266F
Nikkaji J780.630B
PubChem 5311055
PubChem: Drugs of the Future 12014900
PubChem: Thomson Pharma 14901603
SureChEMBL SCHEMBL5707848
ZINC ZINC000001539133

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