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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL327919
CHEMBL327919
Compound Name BENOMYL
ChEMBL Synonyms Benlate | Benomyl
Max Phase 0
Trade Names
Molecular Formula C14H18N4O3

Additional synonyms for CHEMBL327919 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12
Standard InChI InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16 ...
Download InChI
Standard InChI Key RIOXQFHNBCKOKP-UHFFFAOYSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL327919. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL327919

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
290.3 290.1379 2.97 5 85.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.78 3.48 2.12 2.12 2 21 0.83

Compound Cross References

FRAC B - MITOSIS AND CELL DIVISION
B1 - BETA-TUBULINE ASSEMBLY IN MITOSIS
B11 - MBC - FUNGICIDES (METHYL BENZIMIDAZOLE CARBAMATES)
B11A - BENZIMIDAZOLES
B11A1 - BENOMYL
ChemSpider ChemSpider:RIOXQFHNBCKOKP-UHFFFAOYSA-N
PubChem SID: 144208432 SID: 144211487 SID: 17389169 SID: 26752841
Wikipedia Benomyl

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL327919



ACToR 17804-35-2
ChEBI 3015
eMolecules 503155
FDA SRS TLW21058F5
Human Metabolome Database HMDB31767
IBM Patent System 70B796CCD7D96986D61DB5B619FF624C
IBM Patents EP0762830B1 EP0683023A1 US7560621 EP0196524A2 US4098810 US4055656 EP0302451A1 US5712164 US5051447 EP0954596B1 US6323155 US5334577 US6956034 US4107318 EP0560483A1 US5006524 US5998450 US5545664 EP0791582A1 EP1002115B1 WO2008045446A2 US4769945 EP1874868A2 EP1731500A1 WO2006104892A2 EP0793914A1 US5554578 EP2160427A1 EP0010723A1 WO2006095888A2 US6838482 US4323580 US6071941 US4671816 US20040025208 WO2010048320A2 US4185992 US4870064 US3961052 US4822908 EP0148026A2 WO1996004188A1 US7842854 US5602321 US6583090 US5500438 US20050065177 WO2004006679A2 US5290791 US20010029240 US4345404 US4367089 US20040248741 EP1124419B1 US5869517 US4505740 US5378711 US4199503 EP0228779A2 WO1999057155A1 EP0509717A2 US20020013350 US5254717 USRE33989 US5965587 US20100137146 US6313074 EP0057365A2 US6114285 US20030024014 US4110462 US20060160893 US4753934 US4138548 WO2010118463A1 US4303668 US5532164 US20020058684 US4291054 US6069161 WO2010096358A2 US7276493 EP0030424A2 US4960784 US7855326 US7056862 US5063706 US6087158 US20080312366 US6417398 US5224292 US5369118 US5707936 US6310071 US5929121 US3985804 EP0009348A2 EP0638238A1 US6992111 US7700845
KEGG Ligand C10896
Mcule MCULE-7231102664
MolPort MolPort-003-931-458
Nikkaji J1.865A
PubChem 28780
PubChem: Thomson Pharma 15443207
SureChEMBL SCHEMBL15681
ZINC ZINC01532046

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