3D model is for representation purpose only.
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RR | 3-(Benzyloxy)aniline |
Identification | |
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ConjuPepDB ID | cpd01227 |
Smiles | |
Molecular weight | 624.386 |
Molecular formula | C31H48N10O4 |
Chemical name | Peptide information |
Sequence (one letter) | RR |
Length | 2 |
Peptide name | dipeptide |
External ID | |
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CAS number | 851456-41-2 |
Other information | |
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Application | Anticancer therapy, DNA replication |
Additional function | inhibition of cyclin-dependent kinase 2 (CDK2) / cyclin A substrate reruitment |
Pharmacological class | anticancer |
Conjugate type | amide |
Linker | no |
Small molecule | 3-(Benzyloxy)aniline |
Small molecule CAS | 1484-26-0 |
Structure method | 1H NMR, HPLC |
Calculated properties | |
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LogP | 0.22327 |
Rotatable bonds | 19 |
H bond donor | 10 |
H bond acceptor | 11 |
Polar surface area (PSA) | 246.35000 |
Citations | |||||
---|---|---|---|---|---|
ID | Title | Year | Authors | Journal | DOI |
REPLACE: a strategy for iterative design of cyclin-binding groove inhibitors | 2006 | Andrews, Martin J. I.; Kontopidis, George; McInnes, Campbell; Plater, Andy; Innes, Lorraine; Cowan, Angela; Jewsbury, Philip; Fischer, Peter M. | ChemBioChem |