General Information of the Compound
| Compound ID |
CP0468819
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| Compound Name |
[3-[4-(aminomethyl)pyridin-2-yl]oxyphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
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| Structure |
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
NCc1ccnc(Oc2cccc(c2)C(=O)N2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C22H21N3O2/c23-14-16-8-10-24-21(12-16)27-20-7-3-6-18(13-20)22(26)25-11-9-17-4-1-2-5-19(17)15-25/h1-8,10,12-13H,9,11,14-15,23H2
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| InChIKey |
MAPGRQSVGRBDGP-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