General Information of the Compound
| Compound ID |
CP0549894
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| Compound Name |
4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile
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| Synonyms |
AN-2898
PDE4 inhibitor (topical, psoriasis/atopic dermatitis), Anacor
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| Structure |
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| Formula |
C15H9BN2O3
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| Molecular Weight |
276.06
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| Canonical SMILES |
OB1OCc2cc(Oc3ccc(C#N)c(c3)C#N)ccc12
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| InChI |
InChI=1S/C15H9BN2O3/c17-7-10-1-2-13(5-11(10)8-18)21-14-3-4-15-12(6-14)9-20-16(15)19/h1-6,19H,9H2
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| InChIKey |
UBMGTTRDNUKZMT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound