General Information of the Compound
| Compound ID |
CP0430322
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| Compound Name |
[3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride
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| Structure |
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| Formula |
C18H21Cl2F3N4O2
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| Molecular Weight |
453.292
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| Canonical SMILES |
Cl.Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](N)C2)nc(c1)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3N4O2.2ClH/c19-18(20,21)15-6-11(9-22)7-16(24-15)27-14-3-1-2-12(8-14)17(26)25-5-4-13(23)10-25;;/h1-3,6-8,13H,4-5,9-10,22-23H2;2*1H/t13-;;/m1../s1
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| InChIKey |
QOLRGZXXPUCRFH-FFXKMJQXSA-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