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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1269263
CHEMBL1269263
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H31N7O2

Additional synonyms for CHEMBL1269263 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(Cc1ccccc1)C(=O)CN2C(=O)C(c3n[nH]c4ccccc34)c5nnc(c6ccc ...
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Standard InChI InChI=1S/C35H31N7O2/c1-23(2)40(21-24-13-5-3-6-14-24)30(43)22 ...
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Standard InChI Key NWMICPFRYRCYBN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1269263

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
581.7 581.2539 5.73 7 100.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 2 9 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.03 .82 6.59 6.59 6 44 0.26

Structural Alerts

There are 1 structural alerts for CHEMBL1269263. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NWMICPFRYRCYBN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1269263



BindingDB 50329185
PubChem 52940616

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