General Information of the Compound
| Compound ID |
CP0530237
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| Compound Name |
2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride
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| Structure |
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| Formula |
C19H22ClN5O2
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| Molecular Weight |
387.871
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| Canonical SMILES |
Cl.NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCCO
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| InChI |
InChI=1S/C19H21N5O2.ClH/c20-19(21)15-7-6-14(10-17(15)26-9-8-25)22-12-18-23-11-16(24-18)13-4-2-1-3-5-13;/h1-7,10-11,22,25H,8-9,12H2,(H3,20,21)(H,23,24);1H
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| InChIKey |
DKWFBFSXKNVIHG-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