Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04011"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole"
|
| drugbank:description |
"
experimental
logP
4.71
ALOGPS
logS
-4.3
ALOGPS
Water Solubility
2.50e-02 g/l
ALOGPS
logP
5.95
ChemAxon
IUPAC Name
N,N-dimethyl-4-{5-[5-(4-methylpiperazin-1-yl)-1,3-benzodiazol-2-yl]-1,3-benzodiazol-2-yl}aniline
ChemAxon
Traditional IUPAC Name
N,N-dimethyl-4-{5-[5-(4-methylpiperazin-1-yl)-1,3-benzodiazol-2-yl]-1,3-benzodiazol-2-yl}aniline
ChemAxon
Molecular Weight
449.5502
ChemAxon
Monoisotopic Weight
449.232793899
ChemAxon
SMILES
CN(C)C1=CC=C(C=C1)c1nc2ccc(cc2n1)-c1nc2ccc(cc2n1)N1CCN(C)CC1
ChemAxon
Molecular Formula
C27H27N7
ChemAxon
Polar Surface Area (PSA)
61.28
ChemAxon
Refractivity
157.84
ChemAxon
Polarizability
54.93
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
7.79
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
6
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
448202
PubChem Substance
46508638
PDB
BBZ
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object