General Information of the Compound
| Compound ID |
CP0901483
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| Compound Name |
3-((4-(Aminomethyl)pyridin-2-yl)oxy)-N-(3-carbamimidoylbenzyl)benzamide Dihydrochloride
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| Structure |
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| Formula |
C21H23Cl2N5O2
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| Molecular Weight |
448.354
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| Canonical SMILES |
Cl.Cl.N=C(N)c1ccc(CNC(=O)c2cccc(Oc3cc(CN)ccn3)c2)cc1
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| InChI |
InChI=1S/C21H21N5O2.2ClH/c22-12-15-8-9-25-19(10-15)28-18-3-1-2-17(11-18)21(27)26-13-14-4-6-16(7-5-14)20(23)24;;/h1-11H,12-13,22H2,(H3,23,24)(H,26,27);2*1H
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| InChIKey |
RXEMTCDWKQKMAO-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: PT04868, Lysyl oxidase homolog 2
Protein ID: PT05764, Protein-lysine 6-oxidase