General Information of the Compound
| Compound ID |
CP0930024
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(benzo[b]thiophen-2-ylmethyl)benzamide Hydrochloride
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| Structure |
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| Formula |
C23H19ClF3N3O2S
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| Molecular Weight |
493.938
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCc3cc4ccccc4s3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C23H18F3N3O2S.ClH/c24-23(25,26)20-8-14(12-27)9-21(29-20)31-17-6-3-5-16(10-17)22(30)28-13-18-11-15-4-1-2-7-19(15)32-18;/h1-11H,12-13,27H2,(H,28,30);1H
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| InChIKey |
ATVYUGGFTFHRQN-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