General Information of the Compound
| Compound ID |
CP0564667
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| Compound Name |
4-[(6-chloro-1H-benzimidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride
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| Structure |
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| Formula |
C15H15Cl2N5
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| Molecular Weight |
336.226
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| Canonical SMILES |
Cl.NC(=N)c1ccc(NCc2nc3cc(Cl)ccc3[nH]2)cc1
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| InChI |
InChI=1S/C15H14ClN5.ClH/c16-10-3-6-12-13(7-10)21-14(20-12)8-19-11-4-1-9(2-5-11)15(17)18;/h1-7,19H,8H2,(H3,17,18)(H,20,21);1H
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| InChIKey |
QOCRKSICFCSXRW-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