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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL10347
CHEMBL10347
Compound Name RAUWOLSCINE
ChEMBL Synonyms Rauwolscine Hydrochloride | Rauwolscine
Max Phase 0
Trade Names
Molecular Formula C21H26N2O3

Additional synonyms for CHEMBL10347 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H ...
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Standard InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5 ...
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Standard InChI Key BLGXFZZNTVWLAY-DIRVCLHFSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL10347

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
354.4 354.1943 2.82 2 65.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.44 2.87 1.72 2 26 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL10347. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BLGXFZZNTVWLAY-DIRVCLHFSA-N
PubChem SID: 104171345 SID: 144204362 SID: 90341831
Wikipedia Rauwolscine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL10347



ACToR 131-03-3
BindingDB 50026636
ChEBI 48562
eMolecules 1933638
EPA CompTox Dashboard DTXSID2045608
FDA SRS T4LJ7LU45W
Guide to Pharmacology 136 223
IBM Patent System D5BE77E1540CFCA6AF7FC2190622D0A7
LINCS LSM-15381
Nikkaji J5.556E
PubChem 643606
PubChem: Thomson Pharma 14778712
SureChEMBL SCHEMBL244514

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