General Information of the Compound
| Compound ID |
CP0470987
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| Compound Name |
4-[(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-3-yl)methylamino]benzenecarboximidamide;hydrochloride
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| Structure |
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| Formula |
C16H19BClN3O2
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| Molecular Weight |
331.612
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| Canonical SMILES |
Cl.NC(=N)c1ccc(NCC2Cc3ccccc3B(O)O2)cc1
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| InChI |
InChI=1S/C16H18BN3O2.ClH/c18-16(19)11-5-7-13(8-6-11)20-10-14-9-12-3-1-2-4-15(12)17(21)22-14;/h1-8,14,20-21H,9-10H2,(H3,18,19);1H
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| InChIKey |
IEUHBWQCKSZKCU-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