General Information of the Compound
| Compound ID |
CP0552469
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| Compound Name |
3-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-3-yl)benzenecarboximidamide;hydrochloride
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| Structure |
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| Formula |
C15H16BClN2O2
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| Molecular Weight |
302.57
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| Canonical SMILES |
Cl.NC(=N)c1cccc(c1)C1Cc2ccccc2B(O)O1
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| InChI |
InChI=1S/C15H15BN2O2.ClH/c17-15(18)12-6-3-5-11(8-12)14-9-10-4-1-2-7-13(10)16(19)20-14;/h1-8,14,19H,9H2,(H3,17,18);1H
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| InChIKey |
DWPWGKLUIPKSHD-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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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
Protein ID: PT01859, Kallikrein-1
Protein ID: PT02568, Kallikrein-5