Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06934"
Predicate | Value (sorted: default) |
---|---|
rdfs:label |
"(1R)-3-chloro-1-phenylpropan-1-ol"
|
rdf:type | |
drugbank:description |
"
experimental
This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.
Benzene and Substituted Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Secondary Alcohols
Polyamines
Organochlorides
Alkyl Chlorides
secondary alcohol
polyamine
organochloride
alcohol
organohalogen
alkyl halide
alkyl chloride
logP
2.28
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
2.12e+00 g/l
ALOGPS
logP
1.99
ChemAxon
IUPAC Name
(1R)-3-chloro-1-phenylpropan-1-ol
ChemAxon
Traditional IUPAC Name
(1R)-3-chloro-1-phenylpropan-1-ol
ChemAxon
Molecular Weight
170.636
ChemAxon
Monoisotopic Weight
170.049842681
ChemAxon
SMILES
[H][C@@](O)(CCCl)C1=CC=CC=C1
ChemAxon
Molecular Formula
C9H11ClO
ChemAxon
InChI
InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1
ChemAxon
InChIKey
InChIKey=JZFUHAGLMZWKTF-SECBINFHSA-N
ChemAxon
Polar Surface Area (PSA)
20.23
ChemAxon
Refractivity
46.75
ChemAxon
Polarizability
17.96
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
14.44
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
642409
PubChem Substance
99443405
ChemSpider
557611
PDB
269
BE0001248
Lysozyme
Enterobacteria phage T4
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Lysozyme
Involved in lysozyme activity
Helps to release the mature phage particles from the cell wall by breaking down the peptidoglycan
E
Cytoplasmic
None
10.08
18636.0
Enterobacteria phage T4
GenBank Gene Database
X04567
GenBank Protein Database
15261
UniProtKB
P00720
UniProt Accession
LYS_BPT4
EC 3.2.1.17
Endolysin
Lysis protein
Muramidase
>Lysozyme
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNCNGVITK
DEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCALINMVFQMGETGVAGFTNSLRM
LQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
>495 bp
ATGAATATATTTGAAATGTTACGTATAGATGAACGTCTTAGACTTAAAATCTATAAAGAC
ACAGAAGGCTATTACACTATTGGCATCGGTCATTTGCTTACAAAAAGTCCATCACTTAAT
GCTGCTAAATCTGAATTAGATAAAGCTATTGGGCGTAATTGCAATGGTGTAATTACAAAA
GATGAGGCTGAAAAACTCTTTAATCAGGATGTTGATGCTGCTGTTCGCGGAATTCTGAGA
AATGCTAAATTAAAACCGGTTTATGATTCTCTTGATGCGGTTCGTCGCTGTGCATTGATT
AATATGGTTTTCCAAATGGGAGAAACCGGTGTGGCAGGATTTACTAACTCTTTACGTATG
CTTCAACAAAAACGCTGGGATGAAGCAGCAGTTAACTTAGCTAAAAGTATATGGTATAAT
CAAACACCTAATCGCGCAAAACGAGTCATTACAACGTTTAGAACTGGCACTTGGGACGCG
TATAAAAATCTATAA
PF00959
Phage_lysozyme
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
lysozyme activity
function
catalytic activity
function
hydrolase activity
process
peptidoglycan metabolism
process
physiological process
process
catabolism
process
cellular catabolism
process
metabolism
process
cell wall catabolism
process
peptidoglycan catabolism
process
macromolecule metabolism
process
carbohydrate metabolism
process
cellular carbohydrate metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object