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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL500634
CHEMBL500634
Compound Name
ChEMBL Synonyms OSIP-339391
Max Phase 0
Trade Names
Molecular Formula C30H31N7O2T4

Additional synonyms for CHEMBL500634 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [3H]C([3H])(CN1CCN(CC1)C(=O)c2cc3c(NCCNC(=O)C)nc(nc3[nH]2)c4 ...
Download SMILES
Standard InChI InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(2 ...
Download InChI
Standard InChI Key MIUCZFWBCFZKEU-INIJAGOKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL500634

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
525.6 525.2852 3.73 10 106.24 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.05 6.96 4.17 4.03 4 39 0.27

Structural Alerts

There are 1 structural alerts for CHEMBL500634. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MIUCZFWBCFZKEU-INIJAGOKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL500634



PubChem 44583203

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