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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1203981
CHEMBL1203981
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H33ClN4O2

Additional synonyms for CHEMBL1203981 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CN(C)C(=O)c1ccc2\C(=C(\Nc3ccc(CN4CCCCC4)cc3)/c5ccccc5)\C( ...
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Standard InChI InChI=1S/C30H32N4O2.ClH/c1-33(2)30(36)23-13-16-25-26(19-23)3 ...
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Standard InChI Key INLLMTGMGIGLRA-LXCLTORNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1203981

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
480.6 480.2525 5.31 6 64.68 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.64 9.24 3.24 1.44 3 36 0.47

Structural Alerts

There are 3 structural alerts for CHEMBL1203981. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:INLLMTGMGIGLRA-LXCLTORNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1203981



PubChem 49861301

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