General Information of the Compound
| Compound ID |
CP0557800
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| Compound Name |
[(3S)-4-chloro-1-hydroxy-7,8-dihydro-3H-oxaborolo[4,3-h][1,4]benzodioxin-3-yl]methanamine;hydrochloride
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| Structure |
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| Formula |
C10H12BCl2NO4
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| Molecular Weight |
291.927
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| Canonical SMILES |
Cl.NC[C@H]1OB(O)c2c1c(Cl)cc1OCCOc21
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| InChI |
InChI=1S/C10H11BClNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H/t7-;/m1./s1
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| InChIKey |
KESLJBNLRWXDQV-OGFXRTJISA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound