General Information of the Compound
| Compound ID |
CP0956835
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| Compound Name |
Rac-3-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-((5-oxopyrrolidin-2-yl)methyl)benzamide hydrochloride
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| Structure |
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| Formula |
C19H20ClF3N4O3
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| Molecular Weight |
444.841
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCC3CCC(=O)N3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C19H19F3N4O3.ClH/c20-19(21,22)15-6-11(9-23)7-17(26-15)29-14-3-1-2-12(8-14)18(28)24-10-13-4-5-16(27)25-13;/h1-3,6-8,13H,4-5,9-10,23H2,(H,24,28)(H,25,27);1H
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| InChIKey |
YEHNOHITAPAZIM-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