General Information of the Compound
| Compound ID |
CP0237362
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| Compound Name |
[3-[4-(aminomethyl)pyridin-2-yl]oxyphenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone;hydrochloride
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| Structure |
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| Formula |
C17H19ClFN3O3
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| Molecular Weight |
367.808
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| Canonical SMILES |
Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1
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| InChI |
InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1
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| InChIKey |
BKRZYDXKJLEFCP-CTHHTMFSSA-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: PT06007, Lysyl oxidase homolog 2
Protein ID: PT05764, Protein-lysine 6-oxidase