General Information of the Compound
Compound ID |
CP0100089
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Compound Name |
(R)-2-amino-6-borono-2-[2-(piperidin-1-yl)ethyl]hexanoic acid (ABH-PE)
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Structure |
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Formula |
C13H27BN2O4
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Molecular Weight |
286.181
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Canonical SMILES |
N[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O
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InChI |
InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1
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InChIKey |
CHPILBYRQPOXMV-CYBMUJFWSA-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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ChEMBL ID |