General Information of the Compound
| Compound ID |
CP0539518
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| Compound Name |
4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-(pyridin-2-ylmethoxy)benzenecarboximidamide;hydrochloride
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| Structure |
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| Formula |
C23H23ClN6O
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| Molecular Weight |
434.931
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| Canonical SMILES |
Cl.NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ccccn1
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| InChI |
InChI=1S/C23H22N6O.ClH/c24-23(25)19-10-9-17(12-21(19)30-15-18-8-4-5-11-26-18)27-14-22-28-13-20(29-22)16-6-2-1-3-7-16;/h1-13,27H,14-15H2,(H3,24,25)(H,28,29);1H
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| InChIKey |
HXBABVLGGQZUPG-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